Summary
| Herb Id: TCMCG003 | Herb name: Apium graveolens |
| Function: To calm liver, clear heat, dispel wind, disinhibit water, stanch bleeding, resolve toxin, lower blood pressure. | Indication: Hypertension, hypercholesterolemia, headache and dizziness, red face and eyes, blood strangury, swollen welling abscess. |
Ingredient
| Ingredient_name: 3,6,7-Trimethylquercetagenin | Alias: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromone; C04552; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one; 14965-20-9; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one; ACon1_001031; ZINC00689925; 3',4',5-Trihydroxy-3,6,7-trimethoxyflavone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one; 3,6,7-trimethylquercetagenin; MEGxp0_000419; CHEBI:18016 |
| Ingredient_formula: C18H16O8 | Ingredient_Smile: COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC |
| Ingredient_weight: 360.31 | OB_score: 1.948910969 |
| PubChem_id: 5280699 | EC: 2.3.1.140 [VIEW IN KEGG] 2.1.1.84 [VIEW IN KEGG] 1.1.1.353 [VIEW IN KEGG] 3.1.1.94 [VIEW IN KEGG] |
| Ingredient_name: 3-n-butylphthalide | Alias: NBP |
| Ingredient_formula: C13H17N2O8P | Ingredient_Smile: C1=CC(=CC=C1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-] |
| Ingredient_weight: 360.26 g/mol | OB_score: NA |
| PubChem_id: 449242 | EC: - |
| Ingredient_name: 3(S)-3-Butyl-4,5-dihydrophthalide | Alias: 3(s)-3-butyl-4,5-dihydrophthalide; 3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one; SCHEMBL5037143; AC1NST76 |
| Ingredient_formula: C12H18O2 | Ingredient_Smile: CCCCC1C2=C(CCCC2)C(=O)O1 |
| Ingredient_weight: 194.27 g/mol | OB_score: 25.7608388 |
| PubChem_id: 5315566 | EC: - |
| Ingredient_name: 4,5',8-trimethyl psoralen | Alias: NA |
| Ingredient_formula: C14H12O3 | Ingredient_Smile: CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C |
| Ingredient_weight: 228.24 g/mol | OB_score: NA |
| PubChem_id: 5585 | EC: 2.1.1.240 [VIEW IN KEGG] 2.3.1.95 [VIEW IN KEGG] |
| Ingredient_name: apigenin | Alias: 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
| Ingredient_formula: C15H10O5 | Ingredient_Smile: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| Ingredient_weight: 270.24 | OB_score: 23.06216102 |
| PubChem_id: 5280443 | EC: 1.14.14.81 [VIEW IN KEGG] 1.14.14.82 [VIEW IN KEGG] 1.14.19.76 [VIEW IN KEGG] 1.14.20.5 [VIEW IN KEGG] 2.1.1.75 [VIEW IN KEGG] 2.4.1.81 [VIEW IN KEGG] 1.3.1.51 [VIEW IN KEGG] 1.14.14.90 [VIEW IN KEGG] 2.1.1.46 [VIEW IN KEGG] 2.1.1.150 [VIEW IN KEGG] 2.4.1.170 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 4.2.1.105 [VIEW IN KEGG] 2.4.1.253 [VIEW IN KEGG] 3.2.1.167 [VIEW IN KEGG] 1.14.20.6 [VIEW IN KEGG] 2.1.1.283 [VIEW IN KEGG] |
| Ingredient_name: apiin | Alias: NA |
| Ingredient_formula: C26H28O14 | Ingredient_Smile: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O |
| Ingredient_weight: 564.49 | OB_score: NA |
| PubChem_id: 73755987 | EC: 2.3.1.115 [VIEW IN KEGG] 2.4.2.25 [VIEW IN KEGG] |
| Ingredient_name: celephtalide a | Alias: NA |
| Ingredient_formula: C18H24O8 | Ingredient_Smile: CC(CCC1C2=CC=CC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: celephtalide b | Alias: NA |
| Ingredient_formula: C23H32O12 | Ingredient_Smile: CC(CCC1C2=CC=CC=C2C(=O)O1)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: celephtalide c | Alias: NA |
| Ingredient_formula: C18H28O8 | Ingredient_Smile: CC(CCC1C2CCCC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: celereoin | Alias: NA |
| Ingredient_formula: C14H14O5 | Ingredient_Smile: CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O |
| Ingredient_weight: 262.26 g/mol | OB_score: 26.18725637 |
| PubChem_id: 5315768 | EC: - |
| Ingredient_name: celereoside | Alias: NA |
| Ingredient_formula: C20H24O10 | Ingredient_Smile: CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| Ingredient_weight: 424.4 g/mol | OB_score: NA |
| PubChem_id: 73989751 | EC: - |
| Ingredient_name: celerin | Alias: NA |
| Ingredient_formula: C15H16O4 | Ingredient_Smile: CC(C)(C=C)C1=CC(=C(C2=C1C=CC(=O)O2)O)OC |
| Ingredient_weight: 260.28 g/mol | OB_score: NA |
| PubChem_id: 156431 | EC: - |
| Ingredient_name: celerioside a | Alias: NA |
| Ingredient_formula: C21H34O9 | Ingredient_Smile: CC12CCC(C3(C1CC(CC3)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O2)O |
| Ingredient_weight: 430.5 g/mol | OB_score: NA |
| PubChem_id: 101265704 | EC: - |
| Ingredient_name: celerioside b | Alias: NA |
| Ingredient_formula: C21H36O8 | Ingredient_Smile: CC12CCC(C3(C1CC(CC3)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O)CO2)O |
| Ingredient_weight: 416.5 g/mol | OB_score: NA |
| PubChem_id: 101265703 | EC: - |
| Ingredient_name: celerioside c | Alias: NA |
| Ingredient_formula: C21H36O8 | Ingredient_Smile: CC(C)(C1CCC2(C(CCC(=C)C2C1)O)CO)OC3C(C(C(C(O3)CO)O)O)O |
| Ingredient_weight: 416.5 g/mol | OB_score: NA |
| PubChem_id: 101265702 | EC: - |
| Ingredient_name: celerioside d | Alias: NA |
| Ingredient_formula: C21H36O8 | Ingredient_Smile: CC12CCC(CC1C(=C)CC(C2O)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O |
| Ingredient_weight: 416.5 g/mol | OB_score: NA |
| PubChem_id: 101265701 | EC: - |
| Ingredient_name: celerioside e | Alias: NA |
| Ingredient_formula: C21H38O8 | Ingredient_Smile: CC12CCC(CC1C(CCC2O)(C)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O |
| Ingredient_weight: 418.5 g/mol | OB_score: NA |
| PubChem_id: 101265700 | EC: - |
| Ingredient_name: celeroin | Alias: NA |
| Ingredient_formula: C14H14O5 | Ingredient_Smile: CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: celeroside | Alias: NA |
| Ingredient_formula: C20H24O10 | Ingredient_Smile: CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| Ingredient_weight: 424.4 g/mol | OB_score: NA |
| PubChem_id: 73989751 | EC: - |
| Ingredient_name: chrysoeriol-7-apio-glucoside | Alias: NA |
| Ingredient_formula: C27H30O15 | Ingredient_Smile: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.4.1.105 [VIEW IN KEGG] 2.4.1.106 [VIEW IN KEGG] 2.4.1.236 [VIEW IN KEGG] 2.4.1.159 [VIEW IN KEGG] |
| Ingredient_name: chrysograyanin | Alias: NA |
| Ingredient_formula: C18H16O8 | Ingredient_Smile: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3O)OC)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.3.1.140 [VIEW IN KEGG] 2.1.1.84 [VIEW IN KEGG] 1.1.1.353 [VIEW IN KEGG] 3.1.1.94 [VIEW IN KEGG] |
| Ingredient_name: Cnidilide | Alias: 3-Butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one; AK608287; 3674-03-1; CHEMBL2252753; DTXSID20190194; cnidilide; CTK4H7060; UXDIXFDKSPCUIX-AXFHLTTASA-N; SCHEMBL11967660; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S-(3alpha,3abeta,7abeta))-; (3s,3as,7ar)-3-butyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3h)-one; C16937; AC1Q6H2P; 3674/3/1; AKOS030573565; CHEBI:80808; AC1L4O3X |
| Ingredient_formula: C12H18O2 | Ingredient_Smile: CCCCC1C2CCC=CC2C(=O)O1 |
| Ingredient_weight: 194.27 g/mol | OB_score: 77.55146387 |
| PubChem_id: 160710 | EC: - |
| Ingredient_name: Cnidilin | Alias: 9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; cnidilin ; cnidilin; 9-methoxy-4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone |
| Ingredient_formula: C17H16O5 | Ingredient_Smile: CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C |
| Ingredient_weight: 300.31 | OB_score: 32.68737158 |
| PubChem_id: 821449 | EC: - |
| Ingredient_name: glycolic acid | Alias: glycolicacid |
| Ingredient_formula: C2H4O3 | Ingredient_Smile: C(C(=O)O)O |
| Ingredient_weight: 76.05 g/mol | OB_score: NA |
| PubChem_id: 757 | EC: 1.1.1.26 [VIEW IN KEGG] 1.1.1.29 [VIEW IN KEGG] 1.1.1.79 [VIEW IN KEGG] 1.1.3.15 [VIEW IN KEGG] 1.1.99.14 [VIEW IN KEGG] 1.2.1.21 [VIEW IN KEGG] 3.1.3.18 [VIEW IN KEGG] 3.7.1.28 [VIEW IN KEGG] 3.8.1.2 [VIEW IN KEGG] 3.8.1.3 [VIEW IN KEGG] 4.2.99.12 [VIEW IN KEGG] |
| Ingredient_name: glycoside e(periplicae) | Alias: NA |
| Ingredient_formula: C27H44O6 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.1.3.16 [VIEW IN KEGG] 1.14.99.22 [VIEW IN KEGG] 2.3.1.139 [VIEW IN KEGG] |
| Ingredient_name: graveobioside a | Alias: NA |
| Ingredient_formula: C26H28O15 | Ingredient_Smile: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)(CO)O |
| Ingredient_weight: 580.5 g/mol | OB_score: NA |
| PubChem_id: 101248035 | EC: - |
| Ingredient_name: graveoline | Alias: HMS1570G09; Graveolin; HMS2097G09; DS-19520; Prestwick2_000674; CAS-485-61-0; 2-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydroquinolin-4-one; CCG-208356; SR-01000737557; 485-61-0; 2-(1,3-Benzodioxol-5-yl)-1-methyl-4(1H)-quinolinone (graveoline); CHEMBL1371756; Prestwick1_000674; AC1L733Y; SPBio_002688; MolPort-002-511-146; 4(1H)-Quinolinone,2-(1,3-benzodioxol-5-yl)-1-methyl-; SMR000386974; 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one; BG00620484; MLS001048950; Prestwick_165; Oprea1_746980; Prestwick0_000674; HMS2268L04; Alkaloid from Ruta angustifolia plant; SR-01000737557-3; NSC603064; STOCK1N-10299; 2-(benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one; COBBNRKBTCBWQP-UHFFFAOYSA-N; KS-00000TWJ; CTK8G0098; NCGC00016465-01; C10689; NSC-603064; Prestwick3_000674; AK550206; AKOS002141814; 1-Methyl-2-(3,4-methylenedioxyphenyl)-4(1H)-quinolinone; NCGC00179443-01; BRD-K92683369-001-03-6; Graveoline; DTXSID80326593; 2-(1,3-Benzodioxol-5-yl)-1-methyl-4(1H)-quinolinone, 9CI; BSPBio_000767; 4(1H)-Quinolinone, 2-(1,3-benzodioxol-5-yl)-1-methyl-; CHEBI:5541; Foliosine; ZINC265501; MCULE-1487710181; NCGC00016465-02; BPBio1_000845 |
| Ingredient_formula: C17H13NO3 | Ingredient_Smile: CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4 |
| Ingredient_weight: 279.29 g/mol | OB_score: NA |
| PubChem_id: 353825 | EC: - |
| Ingredient_name: (-)-Guaia-1(10),11-dien-15-al | Alias: (-)-guaia-1(10),11-dien-15-al |
| Ingredient_formula: C15H22O | Ingredient_Smile: CC1CCC2=C(CCC(CC12)C(=C)C)C=O |
| Ingredient_weight: 218.37 | OB_score: 29.71323926 |
| PubChem_id: NA | EC: 1.14.14.151 [VIEW IN KEGG] 1.14.15.39 [VIEW IN KEGG] 1.14.14.95 [VIEW IN KEGG] 1.14.15.32 [VIEW IN KEGG] 1.1.1.326 [VIEW IN KEGG] 1.3.1.92 [VIEW IN KEGG] 1.14.14.114 [VIEW IN KEGG] 1.14.14.160 [VIEW IN KEGG] |
| Ingredient_name: guaiacol | Alias: NA |
| Ingredient_formula: C7H8O2 | Ingredient_Smile: COC1=CC=CC=C1O |
| Ingredient_weight: 124.14 g/mol | OB_score: NA |
| PubChem_id: 460 | EC: 1.14.13.6 [VIEW IN KEGG] 4.1.1.58 [VIEW IN KEGG] [VIEW IN KEGG] |
| Ingredient_name: isobutyric acid | Alias: Kyselina isomaselna [Czech]; 240168_ALDRICH; Ammonium isobutyrate; 3F03259M1O; Dimethylacetic acid; NSC 62780; Propionic acid, 2-methyl-; Caswell No. 503AA; Propanoic acid,2-methyl-, ammonium salt (1:1); Isobutyric acid; Iso-butyric acid; 2-Methylpropanoic acid; 22228-82-6; Cenex RP b2; W222208_ALDRICH; EINECS 244-850-2; 2-methyl-propanoic acid; AC1L512W; Acetic acid, dimethyl-; iso-C3H7COOH; Caswell No. 044AA; Isobutyric acid (natural); ammonium 2-methylpropanoate; alpha-Methylpropanoic acid; Isobutyric acid [UN2529] [Flammable liquid]; EINECS 201-195-7; EPA Pesticide Chemical Code 101502; Propanoic acid, 2-methyl-, ammonium salt (1:1); Methylpropanoic acid, 2-; Isobuttersaeure; DTXSID2066771; CTK4E8936; AC1Q229N; 2-METHYL-PROPIONIC ACID; Tenox IBP-2; Tenox EBP 2; Isopropylformic acid; UN2529; 79-31-2; Isobutyrate; 2-Methylpropionic acid; LMFA01020071; Isobutanoate; .alpha.-Methylpropanoic acid; Tenox IBP-2 Grain Pr.; EPA Pesticide Chemical Code 101501; .alpha.-Methylpropionic acid; Isobutanoic acid; CHEBI:16135; ALQ; BRN 0635770; GR-9234; Propanoic acid, 2-methyl-, ammonium salt; isobutyricacid; 58360_FLUKA; InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6; I1754_SIGMA; Propanoic acid, 2-methyl-; 79-31-2 (Parent); WLN: QVY1&1; C02632; FEMA No. 2222; 46935U_SUPELCO; NSC62780; 4-02-00-00843 (Beilstein Handbook Reference); azanium 2-methylpropanoate; alpha-Methylpropionic acid; SCHEMBL929931; ISB; AI3-24260; W222216_ALDRICH; HSDB 5228; UNII-3F03259M1O |
| Ingredient_formula: C4H8O2 | Ingredient_Smile: CC(C)C(=O)O |
| Ingredient_weight: 88.11 | OB_score: 75.36852222 |
| PubChem_id: 6590 | EC: 1.3.1.31 [VIEW IN KEGG] 2.7.2.7 [VIEW IN KEGG] 2.8.3.8 [VIEW IN KEGG] 2.8.3.9 [VIEW IN KEGG] 3.1.1.51 [VIEW IN KEGG] 3.6.1.20 [VIEW IN KEGG] 3.7.1.7 [VIEW IN KEGG] 6.2.1.2 [VIEW IN KEGG] 2.2.1.4 [VIEW IN KEGG] 2.3.1.190 [VIEW IN KEGG] 1.1.1.4 [VIEW IN KEGG] 1.1.1.303 [VIEW IN KEGG] 4.1.1.5 [VIEW IN KEGG] 5.1.2.4 [VIEW IN KEGG] 2.3.1.268 [VIEW IN KEGG] 3.1.1.113 [VIEW IN KEGG] 1.1.1.76 [VIEW IN KEGG] 1.1.1.304 [VIEW IN KEGG] 2.7.2.14 [VIEW IN KEGG] |
| Ingredient_name: malonicacid | Alias: malonic acid |
| Ingredient_formula: C3H4O4 | Ingredient_Smile: C(C(=O)O)C(=O)O |
| Ingredient_weight: 104.06 g/mol | OB_score: NA |
| PubChem_id: 867 | EC: 1.1.1.26 [VIEW IN KEGG] 1.1.1.29 [VIEW IN KEGG] 1.1.1.79 [VIEW IN KEGG] 1.1.1.81 [VIEW IN KEGG] 1.4.1.7 [VIEW IN KEGG] 2.6.1.45 [VIEW IN KEGG] 2.6.1.51 [VIEW IN KEGG] 4.1.1.40 [VIEW IN KEGG] 5.3.1.22 [VIEW IN KEGG] 1.2.1.15 [VIEW IN KEGG] 2.3.1.187 [VIEW IN KEGG] 2.8.3.3 [VIEW IN KEGG] 3.5.1.95 [VIEW IN KEGG] 4.1.1.88 [VIEW IN KEGG] 6.2.1.76 [VIEW IN KEGG] 1.1.1.60 [VIEW IN KEGG] 4.1.1.47 [VIEW IN KEGG] 4.1.1.54 [VIEW IN KEGG] 4.1.2.20 [VIEW IN KEGG] |
| Ingredient_name: malonylawobanin | Alias: Delphinidin 3-(6''-(E)-p-coumaroylglucoside)-5-(6''-malonylglucoside); malonyl awobanin; Malonylawobanin; LMPK12010299 |
| Ingredient_formula: C39H39O22+ | Ingredient_Smile: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O |
| Ingredient_weight: 859.7 g/mol | OB_score: 6.634069241 |
| PubChem_id: 5281258 | EC: - |
| Ingredient_name: myristicin | Alias: 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01 |
| Ingredient_formula: C11H12O3 | Ingredient_Smile: COC1=CC(=CC2=C1OCO2)CC=C |
| Ingredient_weight: 192.21 | OB_score: NA |
| PubChem_id: 4276 | EC: 1.3.1.29 [VIEW IN KEGG] 1.14.12.12 [VIEW IN KEGG] 1.1.1.318 [VIEW IN KEGG] 1.1.1.319 [VIEW IN KEGG] |
| Ingredient_name: myristoleicacid | Alias: LMFA01030250; 9E-Tetradecenoate; myristoleic acid; Myristoleinsaure; trans-9-Tetradecenoate; (E)-tetradec-9-enoic acid; 0WAJ36526B; ZINC1531062; (9E)-9-Tetradecenoic acid; (9E)-tetradecenoic acid; trans-9-Tetradecenoic acid; 9E-tetradecenoic acid; SCHEMBL156569; SCHEMBL109271; (9E)-9-Tetradecenoic acid #; YWWVWXASSLXJHU-AATRIKPKSA-N; E-9-Tetradecenoic acid; C14:1n-5; (9E)-tetradec-9-enoic acid; AC1NSMNY; 50286-30-1; UNII-0WAJ36526B; (E)-9-Tetradecenoic acid; myristelaidate; CHEBI:131381; MolPort-003-958-761; Myristelaidic acid; AKOS032954684; (E)-tetradec-9-enoate; 9-Tetradecenoic acid, (9E)- |
| Ingredient_formula: C14H26O2 | Ingredient_Smile: CCCCC=CCCCCCCCC(=O)O |
| Ingredient_weight: 226.35 g/mol | OB_score: NA |
| PubChem_id: 5281119 | EC: - |
| Ingredient_name: pentanicacid | Alias: pentanic acid |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: petroselaidicacid | Alias: NA |
| Ingredient_formula: C18H34O2 | Ingredient_Smile: CCCCCCCCCCCC=CCCCCC(=O)O |
| Ingredient_weight: 282.5 g/mol | OB_score: NA |
| PubChem_id: 5282754 | EC: 1.11.2.3 [VIEW IN KEGG] 1.13.11.77 [VIEW IN KEGG] 1.14.14.80 [VIEW IN KEGG] 3.1.2.2 [VIEW IN KEGG] 3.1.2.14 [VIEW IN KEGG] 3.5.1.99 [VIEW IN KEGG] 4.2.1.53 [VIEW IN KEGG] |
| Ingredient_name: petunidin | Alias: Petunidin 3-O-beta-D-sambubioside; Petunidin 3-sambubioside; petunidin 3-rhamnoglucoside_qt; Petunidin 3-(2-xylosylglucoside); LMPK12010363; petunidin |
| Ingredient_formula: C16H13O7+ | Ingredient_Smile: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
| Ingredient_weight: 317.27 g/mol | OB_score: 30.04553904 |
| PubChem_id: 441774 | EC: - |
| Ingredient_name: seselin | Alias: 8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one #; Amyrolin; ZINC265504; 8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one; 8,8-Dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one; ACM523591; 5634E8957P; MCULE-7289743021; Sesalin; 8,8-DIMETHYLPYRANO[2,3-H]CHROMEN-2-ONE; 8,8-Dimethyl-2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one; 8,8-dimethylpyrano[2,3-f]chromen-2-one; 523-59-1; 8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI; 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 8,8-dimethyl-; AC1L29B1; CHEMBL71358; 2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 8,8-dimethyl-; Oprea1_187929; CTK4J5797; BDBM50361397; C09312; HMS1648A10; 2H-1-Benzopyran-6-acrylic acid, 5-hydroxy-2,2-dimethyl-, .delta.-lactone; Seseline; UNII-5634E8957P; DTXSID60200322; Pyranocoumarin deriv.; seselin ; AC1Q6BHE; CHEBI:69040; SCHEMBL8993385; 3',4'-Di-O-(-)-Camphanoyl-(+)-cis-khellactone; QUVCQYQEIOLHFZ-UHFFFAOYSA-N; STOCK1N-00353; Seselin; AKOS000276897; 8,8-dimethylpyrano[2,3-f]chromen-2(8H)-one |
| Ingredient_formula: C14H12O3 | Ingredient_Smile: CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C |
| Ingredient_weight: 228.24 g/mol | OB_score: NA |
| PubChem_id: 68229 | EC: 2.1.1.240 [VIEW IN KEGG] 2.3.1.95 [VIEW IN KEGG] |
| Ingredient_name: sesguoiaflavone | Alias: 5,7-dihydroxy-8-[2-hydroxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one; AC1NT0D0 |
| Ingredient_formula: NA | Ingredient_Smile: COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |