Summary
| Herb Id: TCMCG026 | Herb name: Jatropha curcas |
| Function: To dissipate stasis and disperse swelling, stanch bleeding, relieve pain, kill worms and relieve itch. | Indication: Stasis swelling from knocks and falls, fracture and pain, contusion in joints, bleeding from wounds, leprosy (leprosy), scab and lichen, eczema, tinea capitis, ulcer of lower limb, foot lichen, trichomonas vaginalis. |
Ingredient
| Ingredient_name: 15-o-acetyl-15-epi-(4e)-jatrogrossidentadione | Alias: NA |
| Ingredient_formula: C22H30O5 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 2-Furancarboxaldehyde , 5-(hydroxymethyl) | Alias: 2-Furancarboxaldehyde,5-(hydroxymethyl) |
| Ingredient_formula: C6H6O3 | Ingredient_Smile: C1=C(OC(=C1)C=O)CO |
| Ingredient_weight: 126.11 g/mol | OB_score: NA |
| PubChem_id: 237332 | EC: 1.13.11.35 [VIEW IN KEGG] 1.97.1.2 [VIEW IN KEGG] 4.1.1.59 [VIEW IN KEGG] 1.3.1.57 [VIEW IN KEGG] 2.3.1.253 [VIEW IN KEGG] 2.3.1.272 [VIEW IN KEGG] 3.7.1.4 [VIEW IN KEGG] 3.1.1.38 [VIEW IN KEGG] 1.6.5.7 [VIEW IN KEGG] 1.13.11.37 [VIEW IN KEGG] 1.14.13.64 [VIEW IN KEGG] 1.14.13.219 [VIEW IN KEGG] 1.14.13.220 [VIEW IN KEGG] 1.14.14.27 [VIEW IN KEGG] 1.1.3.47 [VIEW IN KEGG] 1.3.1.105 [VIEW IN KEGG] |
| Ingredient_name: 2-Pyrrolidinecarboxylic acid-5-oxo-,ethyl ester | Alias: NA |
| Ingredient_formula: C7H11NO3 | Ingredient_Smile: CCOC(=O)C1CCC(=O)N1 |
| Ingredient_weight: 157.17 g/mol | OB_score: NA |
| PubChem_id: 98047 | EC: - |
| Ingredient_name: 3,3 ', 4-trimethoxysilane ellagic acid | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 3β,12-dihydroxy-13-methyl-8,10,13-podo-carpanetriene | Alias: NA |
| Ingredient_formula: C18H26O2 | Ingredient_Smile: CC1=C(C=C2C(=C1)CCC3C2(CCC(C3(C)C)O)C)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 3β-acetoxy-12-methoxy-13-methyl-podocarpa-8,11,13-trien-7-one. | Alias: NA |
| Ingredient_formula: C21H28O4 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.1.1.146 [VIEW IN KEGG] |
| Ingredient_name: 3-hydroxy-4-methoxy benzoicacid | Alias: 3-hydroxy-4-methoxy benzoic acid; 3-Hydroxy-4-methoxybenzoic acid; 3- hydroxy- 4- methoxy- benzoic acid |
| Ingredient_formula: C8H8O4 | Ingredient_Smile: COC1=C(C=C(C=C1)C(=O)O)O |
| Ingredient_weight: 168.15 g/mol | OB_score: NA |
| PubChem_id: 12575 | EC: 1.13.11.5 [VIEW IN KEGG] 1.13.11.27 [VIEW IN KEGG] 1.14.13.18 [VIEW IN KEGG] 1.14.13.63 [VIEW IN KEGG] 2.5.1.115 [VIEW IN KEGG] 2.5.1.116 [VIEW IN KEGG] 2.5.1.117 [VIEW IN KEGG] 1.2.1.5 [VIEW IN KEGG] 1.2.1.29 [VIEW IN KEGG] 1.2.1.39 [VIEW IN KEGG] 1.13.11.15 [VIEW IN KEGG] 1.14.12.9 [VIEW IN KEGG] 1.14.14.9 [VIEW IN KEGG] 2.1.1.6 [VIEW IN KEGG] 3.1.1.40 [VIEW IN KEGG] 4.1.1.58 [VIEW IN KEGG] 1.1.3.19 [VIEW IN KEGG] 1.1.3.46 [VIEW IN KEGG] 1.1.99.31 [VIEW IN KEGG] 1.13.11.46 [VIEW IN KEGG] 1.14.16.6 [VIEW IN KEGG] 5.1.2.2 [VIEW IN KEGG] 1.1.1.1 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 1.2.1.67 [VIEW IN KEGG] 1.2.3.9 [VIEW IN KEGG] 1.14.13.82 [VIEW IN KEGG] 2.1.1.341 [VIEW IN KEGG] 2.1.1.382 [VIEW IN KEGG] 2.4.1.300 [VIEW IN KEGG] 1.13.11.2 [VIEW IN KEGG] 3.7.1.9 [VIEW IN KEGG] 1.14.13.1 [VIEW IN KEGG] 1.3.1.19 [VIEW IN KEGG] 2.3.1.272 [VIEW IN KEGG] 3.7.1.24 [VIEW IN KEGG] |
| Ingredient_name: 3-Phenylpropenoic acid | Alias: NA |
| Ingredient_formula: C9H8O2 | Ingredient_Smile: C1=CC=C(C=C1)C=CC(=O)O |
| Ingredient_weight: 148.16 g/mol | OB_score: NA |
| PubChem_id: 444539 | EC: 1.3.1.31 [VIEW IN KEGG] 1.3.8.15 [VIEW IN KEGG] 1.14.12.19 [VIEW IN KEGG] 1.14.13.14 [VIEW IN KEGG] 1.14.14.91 [VIEW IN KEGG] 2.4.1.177 [VIEW IN KEGG] 2.8.3.17 [VIEW IN KEGG] 4.1.1.102 [VIEW IN KEGG] 4.3.1.24 [VIEW IN KEGG] 4.3.1.25 [VIEW IN KEGG] 6.2.1.12 [VIEW IN KEGG] 3.1.1.35 [VIEW IN KEGG] 1.1.1.195 [VIEW IN KEGG] 1.2.1.44 [VIEW IN KEGG] |
| Ingredient_name: 4H-Pyran-4-one,2,3-dihydro-3,5-dihudroxy-6-methyl- | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 9,12,15-Octadecatrien-1-ol,(Z,Z,Z) | Alias: NA |
| Ingredient_formula: C18H32O | Ingredient_Smile: CCC=CCC=CCC=CCCCCCCCCO |
| Ingredient_weight: 264.4 g/mol | OB_score: NA |
| PubChem_id: 6436081 | EC: - |
| Ingredient_name: 9-HEXADECENOIC ACID | Alias: Palmitolinoleic acid; 9-Hexadecenoic acid, (9E)-; trans-9-palmitoleic acid; 9E-hexadecenoic acid; cis-.delta.9-Hexadecenoic acid; 9-cis-Hexadecenoic acid; 10030-73-6; NSC277452; (E)-Palmitoleic acid; 9-HEXADECENOIC ACID (E); 9-Hexadecenoic acid, (E)-; (9E)-9-Hexadecenoic acid; 9-Hexadecenoic acid; AI3-36443; AI3-36444; trans-9-hexadecenoic acid; 9-Hexadecenoic acid, (Z)-; 2091-29-4; LMFA01030057; hexadec-9-enoic acid; (Z)-Hexadec-9-enoic acid; NSC 277452; EINECS 206-765-9; (9E)-hexadec-9-enoic acid; (E)-hexadec-9-enoic acid |
| Ingredient_formula: C16H30O2 | Ingredient_Smile: CCCCCCC=CCCCCCCCC(=O)O |
| Ingredient_weight: 254.41 | OB_score: 35.77585321 |
| PubChem_id: 5282745 | EC: 3.1.1.98 [VIEW IN KEGG] 3.1.2.14 [VIEW IN KEGG] |
| Ingredient_name: anthracene | Alias: J-200085; WLN: L C666J; AN-10591; A804437; Bis-alkylamino anthracene; Anthrazen; Anthracene, ReagentPlus(R), 99%; I14-0862; Anthracene, sublimed grade, >=99%; InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10; 40076_SUPELCO; NCGC00254204-01; acene; AC1L1QYH; Green Oil; Anthracene solution, certified reference material, 1000 mug/mL in acetone; Anthracene 10 microg/mL in Cyclohexane; ANTHRACENE- D10; Tetraoliven2G; Anthracen; Anthracene, zone-refined, >=99%; polyacenes; NCGC00163972-03; DSSTox_CID_3878; Anthracene, analytical standard; Anthracene, certified reference material, TraceCERT(R); SBB058663; MFCD00001240; TR-003345; Paranaphthalene; 141062_SIAL; Sterilite hop defoliant; PubChem22168; Tox21_300014; acenes; SC-47157; BBL005251; (9,10-Dihydroanthracene-9,10-diyl); NCGC00259775-01; Azen; KSC174Q2B; Anthracene, reagent grade, 97%; Coal tar pitch volatiles: anthracene; Tox21_202226; 48567_SUPELCO; AJ-27544; 54261-80-2; F0001-0328; UNII-EH46A1TLD7; H2412; NSC7958; CTK0H4820; C14315; CAS-120-12-7; HRACENE; Anthracene solution, certified reference material, 200 mug/mL in methanol; 331481_ALDRICH; EC 204-371-1; BDBM50060894; Anthracin; A0992; STK398386; EINECS 204-371-1; RP23973; p-Naphthalene; ZINC1586329; AC-5799; AI3-00155; MCULE-4141881437; DSSTox_RID_77216; CCRIS 767; 2-anthryl; 48647_SUPELCO; CHEMBL333179; RTR-003345; Anthracene, labeled with deuterium; L975; Epitope ID:119716; 1-anthryl; NCGC00163972-02; ACMC-1C338; TL8000534; 120-12-7; Paranaphtalene; AB1002596; anthracen-9-yl; 46051_RIEDEL; A0405; ST093055; FT-0622409; Anthracene 10 microg/mL in Acetonitrile; Anthracen [German]; Anthracene, vial of 250 mg, analytical standard; J3.643.785E; MWPLVEDNUUSJAV-UHFFFAOYSA-N; ANW-17457; Anthracene oil; DTXSID0023878; Tetra Olive N2G; ANTHRACENE, SCINTILLATOR; 10580_FLUKA; CHEBI:35298; NCGC00163972-01; DSSTox_GSID_23878; Deuterated anthracene; Acen; MolPort-001-760-592; Anthracene, puriss., 99.0%; 27735-76-8; ST24045970; CHEBI:35297; Anthracene 100 microg/mL in Acetonitrile; Anthracene, suitable for scintillation, >=99.0% (GC); Anthracene, pure; AK157086; ANTHRACENE; A89200_ALDRICH; AN3; Anthraxcene; AS-14635; UNII-0TNN3Q0D4D component MWPLVEDNUUSJAV-UHFFFAOYSA-N; NSC 7958; A0495; KB-74701; Anthracene oil (coal tar fraction); LS-627; Coal tar pitch volatiles:anthracene; AKOS000119970; HSDB 702; 61062-81-5; EH46A1TLD7; 27735-77-9; KS-00000UYL; NSC-7958 |
| Ingredient_formula: C14H10 | Ingredient_Smile: C1=CC=C2C=C3C=CC=CC3=CC2=C1 |
| Ingredient_weight: 178.23 | OB_score: NA |
| PubChem_id: 8418 | EC: 1.14.12.12 [VIEW IN KEGG] |
| Ingredient_name: benzene acetaldehyde | Alias: benzeneacetaldehyde |
| Ingredient_formula: C8H8O | Ingredient_Smile: C1=CC=C(C=C1)CC=O |
| Ingredient_weight: 120.15 g/mol | OB_score: NA |
| PubChem_id: 998 | EC: 1.1.1.90 [VIEW IN KEGG] 1.2.1.5 [VIEW IN KEGG] 1.2.1.39 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 1.4.3.21 [VIEW IN KEGG] 1.4.9.2 [VIEW IN KEGG] 4.1.1.43 [VIEW IN KEGG] 4.1.1.109 [VIEW IN KEGG] 5.3.99.7 [VIEW IN KEGG] |
| Ingredient_name: Benzenemethanol,3,4-dimethoxy | Alias: NA |
| Ingredient_formula: C9H12O3 | Ingredient_Smile: COC1=C(C=C(C=C1)CO)OC |
| Ingredient_weight: 168.19 g/mol | OB_score: NA |
| PubChem_id: 7118 | EC: 1.11.1.14 [VIEW IN KEGG] |
| Ingredient_name: .beta .-Amyrin | Alias: NA |
| Ingredient_formula: C30H50O | Ingredient_Smile: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C |
| Ingredient_weight: 426.7 g/mol | OB_score: NA |
| PubChem_id: 225689 | EC: - |
| Ingredient_name: beta .-Bourbonene | Alias: NA |
| Ingredient_formula: C15H24 | Ingredient_Smile: CC(C)C1CCC2(C1C3C2CCC3=C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.14.15.32 [VIEW IN KEGG] 4.2.3.7 [VIEW IN KEGG] 4.2.3.6 [VIEW IN KEGG] 4.2.3.13 [VIEW IN KEGG] |
| Ingredient_name: beta-sitosterol | Alias: 24.alpha.-Ethylcholesterol; alpha-Dihydrofucosterol; 83-46-5; MEGxp0_001710; SPBio_002950; 16-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 16-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 24beta-Ethylcholesterol; SKF 14463; Prestwick1_000985; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; S1270_SIGMA; Angelicin (steroid); 5-Stigmasten-3beta-ol; Cinchol; ZINC04095717; A840577; Stigmasterol, 22,23-dihydro-; NSC49083; BSPBio_001049; Harzol; .beta.-Sitosterin; beta-Sitosterol; β-sitosterol; Prestwick0_000985; Prestwick3_000985; BPBio1_001155; .beta.Sitosterin; Prestwick2_000985; S9889_SIGMA; Cupreol; 24-Ethylcholest-5-en-3.beta.-ol; .alpha.-Dihydrofucosterol; SBB012603; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Rhamnol; AIDS-011900; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 47133_SUPELCO; (3beta)-Stigmast-5-en-3-ol; beta-sitosterol ; ACon1_000287; LMST01040129; β-sitos-terol; alpha.Dihydrofucosterol; SMP1_000274; NSC8096; Stigmast-5-en-3-ol, (3.beta.)-; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; .beta.-Sitosterol; .beta.Sitosterol; NSC18173; Stigmast-5-en-3.beta.-ol; Sito-Lande; SITOSTEROL, BETA; β- sitosterol; C01753; Quebrachol; AIDS011900; NCI60_041777; Sitosterol beta; S5753_SIGMA; Triastonal; 22,23-Dihydrostigmasterol |
| Ingredient_formula: C29H50O | Ingredient_Smile: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Ingredient_weight: 414.71 | OB_score: 36.91390583 |
| PubChem_id: 222284 | EC: 1.14.19.41 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] 1.3.1.72 [VIEW IN KEGG] |
| Ingredient_name: beta-stigmasterol | Alias: 24aFH-stigmasta-5,22t-dien-3b-ol; AKOS022168193; Stigmasta-5,22-dien-3-ol, (3beta,22E)- (9CI); NSC 8095; ZINC4096712; (24S)-24-Ethylcholesta-5,22-dien-3beta-ol; 157542-EP2277507A1; CHEMBL400247; EINECS 201-482-7; (24xH)-stigmasta-5,22t-dien-3b-ol; 83-48-7; b-stigmasterol; .beta.-Stigmasterol; (24S)-5,22-stigmastadien-3b-ol; (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; MFCD00003630; D5-Stigmasterol; (3beta,22E)-Stigmasta-5,22-dien-3-ol; 3beta-Hydroxy-24-ethyl-5,22-cholestadiene; HSDB 7683; (24S)-Stigmast-5,22-dien-3beta-ol; Stigmasterin; Delta5-Stigmasterol; (24x)-ethylcholesta-5,22-dien-3b-ol; C05442; UNII-99WUK5D0Y8; BI4664; β-stigmasterol; Delta5,22-Stigmastadien-3beta-ol; BDBM50376364; Stigmasta-5,22E-dien-3beta-ol; (22E)-stigmasta-5,22-dien-3beta-ol; Stigmasta-5,22-dien-3-ol,(3b,22E)-; Stigmasta-5,22-dien-3-ol, (3b,22E)-; Stigmasta-5,22-dien-3beta-ol; CHEBI:28824; 24-Ethyl-5,22-cholestadien-3.beta.-ol; 24-Ethyl-5,22-cholestadien-3beta-ol; 99WUK5D0Y8; AN-42262; 157542-EP2286795A1; 5,22-Stigmastadien-3beta-ol; HY-N0131; (3b,22E)-stigmasta-5,22-dien-3-ol; SBB012602; P501; beta-Stigmasterol; (3.beta.,22E)-Stigmasta-5,22-dien-3-ol; AC1NQXLK; stigmasta-5,22t-dien-3b-ol; rac-(24xH)-stigmasta-5,22t-dien-3b-ol; UNII-3OE0DD1I5J component HCXVJBMSMIARIN-PHZDYDNGSA-N; AS-15473; CS-7746; (24aFH)-stigmasta-5,22t-dien-3b-ol; 17-(4-ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; .delta.5,22-Stigmastadien-3.beta.-ol; 14-((2E)(4S,1R)-4-ethyl-1,5-dimethylhex-2-enyl)(1S,5S,10S,11S,2R,14R,15R)-2,15 -dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol; Stigmasta-5,22-dien-3-ol; Stigmasterol, ~95%; (24S)-5,22-Stigmastadien-3beta-ol; CCRIS 7476; Stigmasterol, certified reference material, 10 mg/mL in chloroform; stigmasta-5,22-dien-3-b-ol; Q-201746; Stigmasta-5,22-dien-3beta-ol (8CI); STIGMASTEROL; MolPort-004-956-055; ST069313; 24x-24-ethylcholest-5,22-dien-3b-ol; Stigmasta-5,22-dien-3-ol, (3beta,22E)-; Stigmasta-5,22-dien-3-ol, (3beta)-; SC-18170; Stigmasta-5,22-dien-3-beta-ol; SCHEMBL23999; HCXVJBMSMIARIN-PHZDYDNGSA-N; LMST01040123; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 5,22-Cholestadien-24-ethyl-3beta-ol; NSC-8095 |
| Ingredient_formula: C29H48O | Ingredient_Smile: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Ingredient_weight: 412.7 g/mol | OB_score: NA |
| PubChem_id: 5280794 | EC: 1.3.1.70 [VIEW IN KEGG] 1.3.1.72 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] 1.14.19.41 [VIEW IN KEGG] 1.3.1.21 [VIEW IN KEGG] 1.14.18.11 [VIEW IN KEGG] 2.1.1.143 [VIEW IN KEGG] 5.3.3.5 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.14.19.20 [VIEW IN KEGG] |
| Ingredient_name: .beta .-Tocoph erol | Alias: NA |
| Ingredient_formula: C28H48O2 | Ingredient_Smile: CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O |
| Ingredient_weight: 416.7 g/mol | OB_score: NA |
| PubChem_id: 6857447 | EC: 2.1.1.95 [VIEW IN KEGG] 5.5.1.24 [VIEW IN KEGG] 1.14.14.147 [VIEW IN KEGG] 1.14.14.178 [VIEW IN KEGG] 1.14.19.79 [VIEW IN KEGG] 1.3.1.22 [VIEW IN KEGG] 2.1.1.295 [VIEW IN KEGG] |
| Ingredient_name: butanedioic acid | Alias: YM 905; YM67905; MFCD09952287; SMR004701445; BG00498597; D01269; Vesicare OD; UNII-KKA5DLD701; Solifenacin succinate (JAN/USAN/INN); ST24049293; YM-905; 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid; AC1L50Q6; CHEBI:32151; YM-53705; (1S)-3,4-Dihydro-1-phenyl-d5-2(1H)-isoquinolinecarboxylic Acid (3R)-1-Azabicyclo-[2.2.2]oct-3-yl Ester Hydrochloride; Butanedioic acid, compd with (1S)-(3R)-1-azabicyclo(2.2.2)oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1); CS-0371; AB0139087; KKA5DLD701; LS-183550; 242478-37-1; MolPort-003-850-268; Solifenacin succinate [USAN]; Vesikur; MLS006010416; (1S)-(3R)-1-azabicyclo[2.2.2]oct-3-yl-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate succinate; FT-0657634; Solifenacin (Succinate); A819262; BC677662; CHEMBL1200803; S0944; RXZMMZZRUPYENV-VROPFNGYSA-N; AX8032830; AC1Q5VRD; [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid; AKOS015994745; W-5423; 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid (Solifenacin?Succinate); [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; butanedioic acid; AN-15595; Solifenacin Succinate Salt; CTK8G3169; KS-00000656; AK160479; s3048; AM84825; 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-azabicyclo(2.2.2)oct-3-yl ester, (1S)-, butanedioate (1:1); [(3R)-quinuclidin-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; succinic acid; KS-1286; HY-A0002; Quinuclidin-3'-yl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylatemonosuccinate; Vesicare; Solifenacin succinate; 242478-38-2; Vesicare (TN); Butanedioic acid, cmpd. with (1S)-(3R)-1-azabicyclo(2.2.2)oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1); SCHEMBL109333; butanedioic acid; (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester |
| Ingredient_formula: C27H32N2O6 | Ingredient_Smile: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CC(=O)O)C(=O)O |
| Ingredient_weight: 480.6 g/mol | OB_score: NA |
| PubChem_id: 216457 | EC: - |
| Ingredient_name: campesterol | Alias: campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 |
| Ingredient_formula: C28H48O | Ingredient_Smile: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| Ingredient_weight: 400.68 | OB_score: 5.568612527 |
| PubChem_id: 134766514 | EC: 5.3.3.5 [VIEW IN KEGG] 1.1.1.170 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.14.18.9 5.3.3.5 [VIEW IN KEGG] 1.3.1.22 [VIEW IN KEGG] 1.14.14.178 [VIEW IN KEGG] |
| Ingredient_name: cpb-2004-52-608-2 | Alias: NA |
| Ingredient_formula: C22H30O4 | Ingredient_Smile: CC1CC2C(C2(C)C)CCC3(C(O3)C4C(=C1OC(=O)C)C=C(C4=O)C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.21.3.8 [VIEW IN KEGG] 1.21.3.7 [VIEW IN KEGG] |
| Ingredient_name: curcusones A | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: curcusones B | Alias: NA |
| Ingredient_formula: C20H24O2 | Ingredient_Smile: CC1CC2=C(C1=O)C3C(C=C(C2=O)C)C(CCC3=C)C(=C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.13.11.84 [VIEW IN KEGG] |
| Ingredient_name: Dandelion sterol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: daucosterol | Alias: beta-Sitosterol-beta-D-glucoside; Daucosterol_qt; strumaroside; dau-costerol; β-sitosterol-3-O-β-D-glucopyranoside; Daucosterol; eleutheroside A_qt |
| Ingredient_formula: C35H60O6 | Ingredient_Smile: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
| Ingredient_weight: 576.85 | OB_score: 20.63193686 |
| PubChem_id: 5742590 | EC: - |
| Ingredient_name: Eicosanoic acid | Alias: NA |
| Ingredient_formula: C20H40O2 | Ingredient_Smile: CCCCCCCCCCCCCCCCCCCC(=O)O |
| Ingredient_weight: 312.5 g/mol | OB_score: NA |
| PubChem_id: 10467 | EC: 6.2.1.24 [VIEW IN KEGG] 3.1.2.2 [VIEW IN KEGG] |
| Ingredient_name: (E)-isoeugenol | Alias: (E)-Isoeugenol |
| Ingredient_formula: C10H12O2 | Ingredient_Smile: CC=CC1=CC(=C(C=C1)O)OC |
| Ingredient_weight: 164.2 g/mol | OB_score: 34.18456045 |
| PubChem_id: 853433 | EC: 1.2.1.29 [VIEW IN KEGG] 1.14.12.25 [VIEW IN KEGG] 1.1.1.318 [VIEW IN KEGG] 2.1.1.146 [VIEW IN KEGG] 1.1.1.319 [VIEW IN KEGG] 1.13.11.88 [VIEW IN KEGG] 2.1.1.279 [VIEW IN KEGG] |
| Ingredient_name: Heptacanoic acid | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Homovanillic acid | Alias: NA |
| Ingredient_formula: C9H10O4 | Ingredient_Smile: COC1=C(C=CC(=C1)CC(=O)O)O |
| Ingredient_weight: 182.17 g/mol | OB_score: NA |
| PubChem_id: 1738 | EC: 1.1.1.110 [VIEW IN KEGG] 1.1.1.237 [VIEW IN KEGG] 2.8.3.17 [VIEW IN KEGG] 1.3.1.87 [VIEW IN KEGG] 1.13.11.16 [VIEW IN KEGG] 1.14.13.4 [VIEW IN KEGG] 1.14.13.127 [VIEW IN KEGG] 1.2.1.5 [VIEW IN KEGG] 2.1.1.61.2.1.5 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 2.8.3.23 [VIEW IN KEGG] 3.7.1.4 [VIEW IN KEGG] 4.3.1.22 [VIEW IN KEGG] 1.14.12.19 [VIEW IN KEGG] 4.1.1.100 [VIEW IN KEGG] 5.3.3.19 [VIEW IN KEGG] |
| Ingredient_name: jatropha factor c1 | Alias: NA |
| Ingredient_formula: C44H54O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: jatropha factor c2 | Alias: NA |
| Ingredient_formula: C44H54O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: jatropha factor c3 | Alias: NA |
| Ingredient_formula: C44H54O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: jatropha factor c4 | Alias: NA |
| Ingredient_formula: C44H54O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: jatropha factor c5 | Alias: NA |
| Ingredient_formula: C44H54O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: jatropha factor c6 | Alias: NA |
| Ingredient_formula: C44H54O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: jatropham | Alias: (5S)-3-Methyl-5-hydroxy-3-pyrroline-2-one; AC1NRZ9K; (2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one |
| Ingredient_formula: C5H7NO2 | Ingredient_Smile: CC1=CC(NC1=O)O |
| Ingredient_weight: 113.11 g/mol | OB_score: NA |
| PubChem_id: 3080808 | EC: 1.4.3.3 [VIEW IN KEGG] 1.5.1.1 [VIEW IN KEGG] 1.5.1.21 [VIEW IN KEGG] 1.5.1.49 [VIEW IN KEGG] 1.5.99.13 [VIEW IN KEGG] 4.2.1.77 [VIEW IN KEGG] 4.2.1.171 [VIEW IN KEGG] 1.2.1.88 [VIEW IN KEGG] 1.5.1.2 [VIEW IN KEGG] 1.5.5.2 [VIEW IN KEGG] 1.14.20.7 [VIEW IN KEGG] 2.3.1.226 [VIEW IN KEGG] 4.2.1.172 [VIEW IN KEGG] |
| Ingredient_name: jatrophatrione | Alias: NA |
| Ingredient_formula: C20H26O3 | Ingredient_Smile: CC1CC2C(=C1)C=C(C(=O)CC3C(CC(=O)C3(C2=O)C)(C)C)C |
| Ingredient_weight: 314.4 g/mol | OB_score: NA |
| PubChem_id: 5281372 | EC: 1.1.1.295 [VIEW IN KEGG] |
| Ingredient_name: jatropholone A | Alias: NA |
| Ingredient_formula: C20H24O2 | Ingredient_Smile: CC1CC2=C(C(=C3C4C(C4(C)C)CCC(=C)C3=C2C1=O)C)O |
| Ingredient_weight: 296.4 g/mol | OB_score: NA |
| PubChem_id: 14059526 | EC: 1.13.11.84 [VIEW IN KEGG] |
| Ingredient_name: jatropholone B | Alias: NA |
| Ingredient_formula: C20H24O2 | Ingredient_Smile: CC1CC2=C(C(=C3C4C(C4(C)C)CCC(=C)C3=C2C1=O)C)O |
| Ingredient_weight: 296.4 g/mol | OB_score: NA |
| PubChem_id: 46881275 | EC: 1.13.11.84 [VIEW IN KEGG] |
| Ingredient_name: jatrophone | Alias: NA |
| Ingredient_formula: C20H24O3 | Ingredient_Smile: CC1CC23C(=C1)C=C(C(=O)C=CC(CC(=C(C2=O)C)O3)(C)C)C |
| Ingredient_weight: 312.4 g/mol | OB_score: NA |
| PubChem_id: 6325446 | EC: - |
| Ingredient_name: linoleic acid | Alias: (9E,12E)-octadeca-9,12-dienoate; AC1NYW3V; sodium (9E,12E)-octadeca-9,12-dienoate; BDBM22336; 9,12-octadecadienoate; linoleicacid |
| Ingredient_formula: C18H31O2- | Ingredient_Smile: CCCCCC=CCC=CCCCCCCCC(=O)[O-] |
| Ingredient_weight: 279.4 g/mol | OB_score: NA |
| PubChem_id: 5867807 | EC: - |
| Ingredient_name: linoleic acid ethyl ester | Alias: linoleicacidethylester |
| Ingredient_formula: C20H36O2 | Ingredient_Smile: CCCCCC=CCC=CCCCCCCCC(=O)OCC |
| Ingredient_weight: 308.5 g/mol | OB_score: NA |
| PubChem_id: 5282184 | EC: 4.2.3.141 [VIEW IN KEGG] |
| Ingredient_name: Linolein , 1-mono | Alias: NA |
| Ingredient_formula: C21H38O4 | Ingredient_Smile: CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O |
| Ingredient_weight: 354.5 g/mol | OB_score: NA |
| PubChem_id: 6436630 | EC: - |
| Ingredient_name: Lupenol | Alias: NA |
| Ingredient_formula: C30H50O | Ingredient_Smile: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| Ingredient_weight: 426.7 g/mol | OB_score: NA |
| PubChem_id: 259846 | EC: - |
| Ingredient_name: Octadecanoic acid ethyl ester | Alias: NA |
| Ingredient_formula: C20H40O2 | Ingredient_Smile: CCCCCCCCCCCCCCCCCC(=O)OCC |
| Ingredient_weight: 312.5 g/mol | OB_score: NA |
| PubChem_id: 8122 | EC: 6.2.1.24 [VIEW IN KEGG] 3.1.2.2 [VIEW IN KEGG] |
| Ingredient_name: palmarumycin cp1 | Alias: NA |
| Ingredient_formula: C20H12O4 | Ingredient_Smile: C1=CC2=C3C(=C1)OC4(C=CC(=O)C5=C4C=CC=C5O)OC3=CC=C2 |
| Ingredient_weight: 316.3 g/mol | OB_score: NA |
| PubChem_id: 196959 | EC: - |
| Ingredient_name: palmarumycin jc1 | Alias: NA |
| Ingredient_formula: C20H14O5 | Ingredient_Smile: C1=CC2=C3C(=C1)OC4(C5C(O5)C(C6=C4C=CC=C6O)O)OC3=CC=C2 |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: palmarumycin jc2 | Alias: NA |
| Ingredient_formula: C20H14O5 | Ingredient_Smile: C1C(C2(C3=C(C1=O)C(=CC=C3)O)OC4=CC=CC5=C4C(=CC=C5)O2)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: palmitic acid | Alias: HSDB 5001; FEMA No. 2832; Lunac P 95; WLN: QV15; Prifac 2960; Emersol 140; 76119_FLUKA; 4-02-00-01157 (Beilstein Handbook Reference); LS-2331; Pentadecanecarboxylic acid; Loxiol EP 278; Palmitic acid (7CI,8CI); P0500_SIGMA; n-Hexadecanoic acid; Palmitinsaeure; NCGC00164358-01; Hystrene 9016; Hexadecylic acid; Hexadecanoic acid; Hydrofol Acid 1690; 116860-99-2; hexadecoic acid; P5585_SIGMA; Hystrene 8016; LGOPTUPXVVNJFH-UHFFFAOYSA-N; D05341; Kortacid 1698; palmitic acid ; Cetylic acid; NSC5030; Edenor C16; W283207_ALDRICH; Palmitic acid (natural); FA 1695; ST023798; CHEBI:15756; Hexadecanoic acid (9CI); Industrene 4516; Palmitic acid (NF); Palmitic acid-[9,10-3H]; Emersol 143; 27734_RIEDEL; Fatty acids, C14-18; C00249; hexaectylic acid; Palmitic acid, pure; Palmitic acid 95%; LMFA01010001; BRN 0607489; PA 900; Lunac P 98; PALMITATE; FAT; EINECS 200-312-9; 66321-94-6; SCHEMBL1815133; Pentadecanethioic acid; 67701-02-4; n-Hexadecoic acid; 57-10-3; 1-HEXYLDECANOIC ACID; Hydrofol; 1-Pentadecanecarboxylic acid; Pristerene 4934; Palmitinic acid; P1076_SIGMA; Lunac P 95KC; NSC 5030; SCHEMBL8368438; PLM; AI3-01594; C16 fatty acid; 212625-86-0; CH3-[CH2]14-COOH; P51_ALDRICH; 60605-23-4 |
| Ingredient_formula: C16H32O2 | Ingredient_Smile: CCCCCCCCCCCCCCCC(=O)O |
| Ingredient_weight: 256.42 g/mol | OB_score: 19.2965647 |
| PubChem_id: 985 | EC: 1.2.1.48 [VIEW IN KEGG] 1.11.1.3 [VIEW IN KEGG] 1.14.14.80 [VIEW IN KEGG] 2.3.1.85 [VIEW IN KEGG] 3.1.1.63 [VIEW IN KEGG] 3.1.2.2 [VIEW IN KEGG] 3.1.2.14 [VIEW IN KEGG] 3.1.2.22 [VIEW IN KEGG] 6.2.1.3 [VIEW IN KEGG] 6.2.1.57 [VIEW IN KEGG] |
| Ingredient_name: Palmitic acid ethyl ester | Alias: NA |
| Ingredient_formula: C18H36O2 | Ingredient_Smile: CCCCCCCCCCCCCCCC(=O)OCC |
| Ingredient_weight: 284.5 g/mol | OB_score: NA |
| PubChem_id: 12366 | EC: 3.1.2.2 [VIEW IN KEGG] 3.1.2.14 [VIEW IN KEGG] 6.2.1.57 [VIEW IN KEGG] |
| Ingredient_name: Palmitin , 2-mono | Alias: palmitin, 2-mono |
| Ingredient_formula: C19H38O4 | Ingredient_Smile: CCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| Ingredient_weight: 330.5 g/mol | OB_score: NA |
| PubChem_id: 123409 | EC: - |
| Ingredient_name: pentadecanoic acid | Alias: pentadecanoicacid; CHEBI:78795; pentadecanoate |
| Ingredient_formula: C15H30O2 | Ingredient_Smile: CCCCCCCCCCCCCCC(=O)[O-] |
| Ingredient_weight: 242.4 | OB_score: NA |
| PubChem_id: 22169126 | EC: - |
| Ingredient_name: phytol | Alias: 7541-49-3; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*-(E)))- (9CI); (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; CHEBI:17327; (2E)(7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-; (E)-Phytol; BRN 1726098; 5016-81-9; LMPR01040057; EINECS 205-776-6; 4-01-00-02208 (Beilstein Handbook Reference); AI3-24344; AIDS058679; (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol; C01389; 3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL; (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; trans-Phytol; 150-86-7; 3,7,11,15-Tetramethylhexadec-2-en-1-ol; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (theta-(theta,theta-(E)))-; AIDS-058679; Phytol |
| Ingredient_formula: C20H40O | Ingredient_Smile: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C |
| Ingredient_weight: 296.53 | OB_score: 33.82439209 |
| PubChem_id: 5366244 | EC: 2.7.1.182 [VIEW IN KEGG] 3.1.1.14 [VIEW IN KEGG] |
| Ingredient_name: Pseudo dandelion sterol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: squalene | Alias: squalene |
| Ingredient_formula: C30H50 | Ingredient_Smile: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C |
| Ingredient_weight: 410.7 g/mol | OB_score: NA |
| PubChem_id: 638072 | EC: 1.3.1.96 [VIEW IN KEGG] 1.14.14.17 [VIEW IN KEGG] 1.17.8.1 [VIEW IN KEGG] 2.1.1.262 [VIEW IN KEGG] 2.5.1.21 [VIEW IN KEGG] 4.2.1.123 [VIEW IN KEGG] 4.2.1.129 [VIEW IN KEGG] 5.4.99.17 [VIEW IN KEGG] 5.4.99.37 [VIEW IN KEGG] |
| Ingredient_name: Stigmasta-3 ,5-dien-7-one | Alias: NA |
| Ingredient_formula: C29H46O | Ingredient_Smile: CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC=C4)C)C)C(C)C |
| Ingredient_weight: 410.7 g/mol | OB_score: NA |
| PubChem_id: 12444466 | EC: 1.3.1.70 [VIEW IN KEGG] 1.14.14.154 [VIEW IN KEGG] 1.14.15.36 [VIEW IN KEGG] 1.3.1.21 [VIEW IN KEGG] 1.14.19.20 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.1.1.418 [VIEW IN KEGG] |
| Ingredient_name: Stigmasta-5 , 22-dien-3-ol | Alias: NA |
| Ingredient_formula: C29H48O | Ingredient_Smile: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Ingredient_weight: 412.7 g/mol | OB_score: NA |
| PubChem_id: 91692579 | EC: 1.3.1.70 [VIEW IN KEGG] 1.3.1.72 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] 1.14.19.41 [VIEW IN KEGG] 1.3.1.21 [VIEW IN KEGG] 1.14.18.11 [VIEW IN KEGG] 2.1.1.143 [VIEW IN KEGG] 5.3.3.5 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.14.19.20 [VIEW IN KEGG] |
| Ingredient_name: sucrose | Alias: Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3 |
| Ingredient_formula: C12H22O11 | Ingredient_Smile: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
| Ingredient_weight: 342.3 g/mol | OB_score: 7.170822954 |
| PubChem_id: 5988 | EC: 1.1.99.13 [VIEW IN KEGG] 2.4.1.4 [VIEW IN KEGG] 2.4.1.5 [VIEW IN KEGG] 2.4.1.7 [VIEW IN KEGG] 2.4.1.9 [VIEW IN KEGG] 2.4.1.10 [VIEW IN KEGG] 2.4.1.13 [VIEW IN KEGG] 2.4.1.82 [VIEW IN KEGG] 2.4.1.99 [VIEW IN KEGG] 2.4.1.125 [VIEW IN KEGG] 2.4.1.166 [VIEW IN KEGG] 2.4.1.167 [VIEW IN KEGG] 2.4.1.362 [VIEW IN KEGG] 2.4.1.372 [VIEW IN KEGG] 2.4.1.373 [VIEW IN KEGG] 2.7.1.211 [VIEW IN KEGG] 3.1.3.24 [VIEW IN KEGG] 3.2.1.10 [VIEW IN KEGG] 3.2.1.20 [VIEW IN KEGG] 3.2.1.22 [VIEW IN KEGG] 3.2.1.26 [VIEW IN KEGG] 3.2.1.48 [VIEW IN KEGG] 5.4.99.11 [VIEW IN KEGG] 1.1.99.18 [VIEW IN KEGG] 2.4.1.20 [VIEW IN KEGG] 2.7.1.85 [VIEW IN KEGG] 2.7.1.205 [VIEW IN KEGG] 3.2.1.4 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 3.2.1.74 [VIEW IN KEGG] 3.2.1.91 [VIEW IN KEGG] 5.1.3.11 [VIEW IN KEGG] 2.3.1.79 [VIEW IN KEGG] 2.4.1.8 [VIEW IN KEGG] 2.4.1.25 [VIEW IN KEGG] 2.4.1.139 [VIEW IN KEGG] 2.7.1.175 [VIEW IN KEGG] 2.7.1.208 [VIEW IN KEGG] 3.1.3.90 [VIEW IN KEGG] 3.2.1.1 [VIEW IN KEGG] 3.2.1.2 [VIEW IN KEGG] 3.2.1.133 [VIEW IN KEGG] 5.4.99.16 [VIEW IN KEGG] 2.4.1.22 [VIEW IN KEGG] 2.7.1.207 [VIEW IN KEGG] 3.2.1.23 [VIEW IN KEGG] 3.2.1.108 [VIEW IN KEGG] 3.2.1.140 [VIEW IN KEGG] 3.2.1.11 [VIEW IN KEGG] 3.2.1.204 [VIEW IN KEGG] 3.2.1.205 [VIEW IN KEGG] 5.1.3.21 [VIEW IN KEGG] 2.3.1.122 [VIEW IN KEGG] 2.3.1.279 [VIEW IN KEGG] 2.4.1.64 [VIEW IN KEGG] 2.4.1.231 [VIEW IN KEGG] 2.4.1.245 [VIEW IN KEGG] 2.7.1.201 [VIEW IN KEGG] 2.8.2.37 [VIEW IN KEGG] 3.1.3.12 [VIEW IN KEGG] 3.2.1.28 [VIEW IN KEGG] 3.2.1.141 [VIEW IN KEGG] 2.4.1.67 [VIEW IN KEGG] 2.4.1.123 [VIEW IN KEGG] 3.2.1.163 [VIEW IN KEGG] 2.4.1.319 [VIEW IN KEGG] 2.4.1.339 [VIEW IN KEGG] 3.2.1.197 [VIEW IN KEGG] 2.4.1.388 [VIEW IN KEGG] 2.4.1.389 [VIEW IN KEGG] 2.7.8.32 [VIEW IN KEGG] 2.4.1.281 [VIEW IN KEGG] 2.4.1.31 [VIEW IN KEGG] 2.4.1.162 [VIEW IN KEGG] 2.4.1.333 [VIEW IN KEGG] 3.2.1.214 [VIEW IN KEGG] 2.4.1.230 [VIEW IN KEGG] 3.2.1.216 [VIEW IN KEGG] 3.1.3.79 [VIEW IN KEGG] 2.4.1.279 [VIEW IN KEGG] 2.4.1.334 [VIEW IN KEGG] 4.2.1.178 [VIEW IN KEGG] 4.2.1.179 [VIEW IN KEGG] 3.2.1.64 [VIEW IN KEGG] 3.2.1.65 [VIEW IN KEGG] |
| Ingredient_name: Taraxerol | Alias: D-Friedoolean-14-en-3beta-ol; D-Friedoolean-14-en-3-ol, (3beta)-; taraxerol ; 127-22-0; ZINC04082498; C08637; 22076-46-6; taraxerol; (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
| Ingredient_formula: C30H50O | Ingredient_Smile: CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C |
| Ingredient_weight: 426.72 | OB_score: 38.4025444 |
| PubChem_id: 92097 | EC: - |
| Ingredient_name: tetradecanoic acid | Alias: SCHEMBL136610; A830197 |
| Ingredient_formula: C14H28O2 | Ingredient_Smile: CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O |
| Ingredient_weight: 228.37 | OB_score: NA |
| PubChem_id: 53435003 | EC: 3.1.2.14 [VIEW IN KEGG] |
| Ingredient_name: Twenty-six methyl ester | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: vanillin | Alias: Methylprotocatechuic aldehyde; Zimco; Benzaldehyde, 4-hydroxy-3-methoxy-; Protocatechualdehyde, methyl-; NSC48383; V2375_SIGMA; VANILLIN; WLN: VHR DQ CO1; AIDS-017927; 94752_FLUKA; Vanillin (NF); W310727_ALDRICH; NCGC00091645-03; NSC15351; Vanillin [USAN]; ZINC02567933; 4-Hydroxy-3-methoxybenzaldehyde; m-Anisaldehyde, 4-hydroxy-; FEMA No. 3107; AIDS017927; 8014-42-4; 4-Hydroxy-5-methoxybenzaldehyde; 4-Hydroxy-m-anisaldehyde; CHEBI:18346; 94750_FLUKA; BRN 0472792; nchembio882-comp7; SBB000108; HSDB 1027; LS-645; 52447-63-9; 4-Formyl-2-methoxyphenol; 2-Methoxy-4-formylphenol; Lioxin; 4-HYDROXY,3-METHOXY-BENZALDEHYDE; 3-Methoxy-4-hydroxybenzaldehyde; trans-2-Ethoxy-5-(1-propenyl)phenol; NSC403658; Vanillin (natural); EINECS 204-465-2; NCI60_001085; 121-33-5; Vanillic aldehyde; LS-2459; to_000089; 4-hydroxy-3-methoxybenzaldehyde; V1104_ALDRICH; Vanilla; AC-907/21098004; AI3-00093; NSC 15351; InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H; D00091; Protocatechualdehyde 3-methyl ether; C00755; vaniline; Vanillaldehyde; NCGC00091645-01; 4-Hydroxy-3-methoxy-benzaldehyde; 4-08-00-01763 (Beilstein Handbook Reference); p-Vanillin; CCRIS 2687; p-Hydroxy-m-methoxybenzaldehyde; c0193; SGCUT00016; Vanilline; W310700_ALDRICH |
| Ingredient_formula: C8H8O3 | Ingredient_Smile: COC1=C(C=CC(=C1)C=O)O |
| Ingredient_weight: 152.15 | OB_score: 51.99600777 |
| PubChem_id: 1183 | EC: 1.2.1.5 [VIEW IN KEGG] 1.2.1.29 [VIEW IN KEGG] 1.2.1.39 [VIEW IN KEGG] 1.2.1.53 [VIEW IN KEGG] 1.2.3.13 [VIEW IN KEGG] 1.14.13.18 [VIEW IN KEGG] 1.14.14.9 [VIEW IN KEGG] 4.1.1.83 [VIEW IN KEGG] 1.1.3.38 [VIEW IN KEGG] 1.2.1.67 [VIEW IN KEGG] 1.2.3.9 [VIEW IN KEGG] 1.11.1.16 [VIEW IN KEGG] 1.13.11.43 [VIEW IN KEGG] 1.13.11.88 [VIEW IN KEGG] 2.6.1.119 [VIEW IN KEGG] 4.1.2.61 [VIEW IN KEGG] 1.1.1.379 [VIEW IN KEGG] 3.5.1.86 [VIEW IN KEGG] 5.1.2.2 [VIEW IN KEGG] 1.1.99.31 [VIEW IN KEGG] 1.14.16.6 [VIEW IN KEGG] 1.14.99.15 [VIEW IN KEGG] 2.3.1.165 [VIEW IN KEGG] 4.1.1.52 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 1.4.3.21 [VIEW IN KEGG] 1.4.9.2 [VIEW IN KEGG] 4.1.1.107 [VIEW IN KEGG] 4.2.1.78 [VIEW IN KEGG] 1.14.13.63 [VIEW IN KEGG] 1.13.11.27 [VIEW IN KEGG] 1.14.14.54 [VIEW IN KEGG] 2.1.1.274 [VIEW IN KEGG] 1.13.11.41 [VIEW IN KEGG] |
| Ingredient_name: vitamin e | Alias: vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher |
| Ingredient_formula: C29H50O2 | Ingredient_Smile: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
| Ingredient_weight: 430.7 g/mol | OB_score: NA |
| PubChem_id: 14985 | EC: 2.1.1.95 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] |