Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004404 |
ID: | TCMBANKHE004404 |
植物拉丁名: |
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功能与主治: | To promote the flow of qi and relieve pain, to arrest vomiting by warming the stomach, and to relieve asthma./Cold pain in stomach duct and abdomen, qi counterflow with asthma, stomach cold with retching counterflow, vacuity cold in lumbus and knees, vacuity constipation, qi strangury. |
药用植物名: | 沉香 |
药用部位: | resinous wood |
药味: | Warm; Pungent; Bitter |
经络: | Spleen; Stomach; Kidney |
临床特征: | Duodenal feeding of its decoction can promote the secretion of bile in anesthetized rats. |
治疗类型: | 理气药 |
TCM_ID_id: | 6726 |
SymMap_id: | 63 |
TCMSP_id: | 98 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000069 | Deoxyelephantopin | 29307-03-7; Germacra-1(10),4,11(13)-triene-12,14-dioic acid, 2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate, (E)-; BRN 1662665; C09388; deoxyelephantopin; NSC 259726; ESD; LMPR01030021; LS-71188 | C19H20O6 | 344.36 | CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2 |
| TCMBANKIN000079 | sennoside a | Sennoside A, primary pharmaceutical reference standard; SCHEMBL14477483; (9R,9'R)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; SMP1_000271; C10404; (9R,9'R)-4,4'-DIHYDROXY-10,10'-DIOXO-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5'-{[(3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-9H,9'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID; MLS002207024; SMR000857110; HMS2234C24; CS0023; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid; MLS001332477; CHEMBL1362935; MEGxp0_001902; Sennoside A; BDBM53380; MLS001332478; LMPK02000045; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-c; 8013-11-4; 81-27-6; Senna (powdered); NSC 112929; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carbo; (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- (VAN) (9CI); EINECS 201-339-9; Sennoside A, analytical standard; cid_16218404; Sennoside A, United States Pharmacopeia (USP) Reference Standard; ACon0_001464 | C42H38O20 | 862.7 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000167 | deoxyandrographiside | CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O | |||
| TCMBANKIN000214 | 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione | 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione; 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-quinone; 1-Oxa-spiro[4.5]deca-6,9-diene-2,8-dione, 7,9-di-tert-butyl- | C17H24O3 | 276.4 g/mol | CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C |
| TCMBANKIN000611 | paniculide a | C15H20O4 | 264.32 g/mol | CC(=CCCC1=C2C(CC3(C(C2O)O3)C)OC1=O)C | |
| TCMBANKIN001001 | ZINC05225089 | (4S,4aR,6S)-6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one; (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one | C15H22O | 218.33 | |
| TCMBANKIN001137 | C09495 | 13476-25-0 | C15H16O4 | 260.29 | CC1=CCCC23C(O2)C(C4=C(C1)OC=C4C)OC3=O |
| TCMBANKIN001910 | 1-phenyl-2,4-hexadiyne-1-ol | C12H10O | 170.21 g/mol | CC#CC#CC(C1=CC=CC=C1)O | |
| TCMBANKIN002287 | Hydro Cinnamicacid | A807624; hydrocinnamic acid; 9198-EP2295412A1; 9198-EP2308873A1; A827992; 9198-EP2292614A1; 9198-EP2269977A2; hydrocinnamicacid; 23157-EP2270004A1; 3-phenyl propionate; XMIIGOLPHOKFCH-UHFFFAOYSA-M; 3-phenylpropionate; 9198-EP2281559A1; 23157-EP2314584A1; 9198-EP2308875A1; CJ-01348; 9198-EP2311837A1; 9198-EP2298734A2; 9198-EP2295426A1; 9198-EP2295413A1; 9198-EP2295550A2; 9198-EP2298775A1; 9198-EP2272840A1; CHEBI:51057; DB-003598; 9198-EP2308845A2; 9198-EP2316836A1; 9198-EP2316834A1; ZB005823; BDBM36026; 9198-EP2308861A1; 9198-EP2308872A1; hydrocinnamate; 9198-EP2295437A1; 9198-EP2308846A2; 9198-EP2272839A1; 9198-EP2374454A1; 9198-EP2295427A1; 9198-EP2292227A2; AKOS024438278; 9198-EP2311831A1; 9198-EP2311842A2; 9198-EP2308844A2; 3-phenyl-propionate; 9198-EP2316829A1; 9198-EP2316835A1; 3-phenylpropanoate; AC1NHIRM; 9198-EP2280010A2; 23157-EP2289891A2; 9198-EP2277876A1 | C9H10O2 | 150.17 | C1=CC=C(C=C1)CCC(=O)[O-] |
| TCMBANKIN002670 | (5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyr | (5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl; (5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2; (5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]ox | 842.84 | ||
| TCMBANKIN002787 | (S)-(+)-alpha-Phellandrene | C11391; (5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene; 2243-33-6; (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C |
| TCMBANKIN005296 | andrographidine B | 5-HYDROXY-2-(2-HYDROXY-3-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)-7,8-DIMETHOXYCHROMEN-4-ONE; NCGC00385204-01!5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one; MolPort-029-942-929; andrographidine b; ZINC137599195 | C23H24O12 | 492.4 g/mol | COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=C(C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)OC |
| TCMBANKIN005502 | Fenozan | EINECS 243-556-1; 90804-34-5; 3,5-di-tert-Butyl-4-hydroxyphenylpropionic acid; 123173-45-5; EU-0084642; Oprea1_499142; A1253/0057246; 212463-43-9; 4-Hydroxy-3,5-di-tert-butylphenylpropionic acid; 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid; 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid; 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-; 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; Oprea1_601096 | C17H26O3 | 278.39 | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O |
| TCMBANKIN005868 | neopine | CCG-39441; Neopin; C09594; KBio3_001981; EINECS 207-387-7; Spectrum2_001745; Spectrum4_001139; Spectrum5_001754; Neopine; DTXSID80196910; BSPBio_002761; SPBio_001850; SCHEMBL679477; UNII-TM43JB0IA8; 467-14-1; KBioGR_001657; (5alpha,6alpha)-8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; 27115-17-9; CHEBI:7509; Spectrum3_001011; TM43JB0IA8; BRD-K34252131-001-02-0; beta-Codeine | C18H21NO3 | 299.4 g/mol | CN1CCC23C4C(CC=C2C1CC5=C3C(=C(C=C5)OC)O4)O |
| TCMBANKIN006100 | methyl guaia-1(10),11-dien-15-carboxylate | AC1NSYF1; methyl 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate | CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)OC | ||
| TCMBANKIN006114 | tetraacetylbrazilin | Tetraacetylbrazilin; Brazilin tetraacetate; Brx-019; AC1OCFZ1; [(6aS,11bR)-6a,9,10-triacetyloxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-3-yl] acetate | C24H22O9 | 454.4 g/mol | CC(=O)OC1=CC2=C(C=C1)C3C4=CC(=C(C=C4CC3(CO2)OC(=O)C)OC(=O)C)OC(=O)C |
| TCMBANKIN006791 | (+)-karanone | AC1NSXAA; (3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one | C15H20O | CC1CC=CC2=CC(=O)C(CC12C)C(=C)C | |
| TCMBANKIN007108 | 6,8-Dihydroxy-5-methylflavanone | ||||
| TCMBANKIN007768 | 19-(r)-hydroxydihydrogelsemine | C20H24N2O3 | 340.4 g/mol | CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6NC4=O)C)O | |
| TCMBANKIN007803 | guaia-1(10),11-dien-15-al | 218.37 | |||
| TCMBANKIN008098 | sennoside | 517-43-1; IPQVTOJGNYVQEO-JLDSCGAUSA-N; 135S582; C13940; 5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-9,9'-bianthracene-2,2'-dicarboxylic acid; 66575-30-2; 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid; 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; Pursennid (TN); AC1LCVKW; D02171; Sennosides; 5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; SCHEMBL11140501; Senna-lax; 73613-07-7; [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-; CHEBI:34974; Sennoside (JAN); Sennoside G; Sennosides (USP); [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-; (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- | C42H38O20 | 862.7 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| TCMBANKIN008137 | methyl gymnaconitine | C35H49NO8 | 611.8 g/mol | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C=CC7=CC(=C(C=C7)OC)OC)OC)O)OC)COC | |
| TCMBANKIN008300 | DMPEC | 6,7-Dimethoxy-2-[2-(4'-methoxyphenyl)ethyl]chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one; 117596-92-6; 6,7-Dimethoxy-2-(2-(4-methoxyphenyl)ethyl)chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-chromenone | C20H20O5 | 340.37 | COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC)OC |
| TCMBANKIN009678 | Jiofuran | jiofuran; (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol; 124902-19-8; AC1NSX7L | C9H12O4 | 184.19 g/mol | C1=C2C(C(C(C2=CO1)O)O)CCO |
| TCMBANKIN009960 | clerodendrin A | clerodendrin a; [(2S,4aR,5R)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-acetyloxy-2-methylbutanoate; AC1NSTPG | C31H42O12 | 606.66 | CCC(C)(C(=O)OC1C(CC2C(C(=CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5C=COC5O4)O)OC(=O)C |
| TCMBANKIN010395 | cleomiscosin c | SCHEMBL4545353; BG01704417; ZINC13400299; W1851; CHEMBL465491; Cleomiscosin C; 9H-Pyrano[2,3-f]-1,4-benzodioxin-9-one,2,3- dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)- 2-(hydroxymethyl)-5-methoxy-,(2R,3R)-rel-; (2R,3R)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-2-(HYDROXYMETHYL)-5-METHOXY-2H,3H-[1,4]DIOXINO[2,3-H]CHROMEN-9-ONE; AKOS032948612; MolPort-035-706-073; 84575-10-0 | C21H20O9 | 416.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO |
| TCMBANKIN010629 | junipene | longifolene; (+)-longifolene | C15H24 | 204.35 | CC1(CCCC2(C3C1C(C2=C)CC3)C)C |
| TCMBANKIN011526 | mono-o-methyllwightin | ||||
| TCMBANKIN011528 | (?)-guaia-1(10),11-dien-15,2-olide | C15H20O2 | 232.32 g/mol | CC1CC2C3=C(CCC(CC13)C(=C)C)C(=O)O2 | |
| TCMBANKIN011534 | (?)-guaia-1(10),11-dien-15-al | C15H22O | 218.33 g/mol | CC1CCC2=C(CCC(CC12)C(=C)C)C=O | |
| TCMBANKIN011720 | tetrahydroxynorbufostane | CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)CO | |||
| TCMBANKIN011816 | sinenofuranal | 236.39 | CC1CCC2CC3(C1CCC3C=O)OC2(C)C | ||
| TCMBANKIN012043 | hydrocotarnine | CAS-5985-00-2; 5985-00-2; Tox21_110552; NSC99784; 1,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrobromide; HYDROCOFARMINE HBR; Tox21_110552_1; FT-0627128; CCG-38859; SR-01000842151-3; HMS1569J12; 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrobromide; DSSTox_RID_80849; CHEMBL1569495; SMR001233253; 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrobromide (1:1); NCGC00016666-01; EN300-191460; XSR2NNV6TM; 8-Methoxy-5,6-methylenedioxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide; SR-01000842151; DTXSID9045392; Hydrocotarnine hydrobromide; Prestwick_267; MLS002153904; NSC-99784; AC1O4WGO; DSSTox_GSID_45392; DSSTox_CID_25392; NCGC00016666-06; SCHEMBL4281040; 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide; UNII-XSR2NNV6TM | C12H15NO3 | 221.25 g/mol | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3 |
| TCMBANKIN012747 | BHT-OH | BRN 2050856; 2,6-ditert-butyl-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienone; 4-08-00-00142 (Beilstein Handbook Reference); 10396-80-2; 2,6-di(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadiene-1-one; 2,6-di(t-Butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-hydroxy-4-methyl-; 2,6-Di-t-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone; 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one; 2,6-ditert-butyl-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-one | C15H24O2 | 236.35 | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O |
| TCMBANKIN013320 | Paniculide C | paniculide c | C15H18O5 | 278.3 | CC(=CCCC1=C2C(CC3(C(C2=O)O3)CO)OC1=O)C |
| TCMBANKIN013384 | epigenin-7, 4'dimethylethers | epigenin-7,4'dimethylethers | |||
| TCMBANKIN013598 | Paniculatin | SCHEMBL4742129; paniculatin; LMPK12050162 | C27H30O15 | 594.5 g/mol | C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
| TCMBANKIN014022 | 6-hydroxy--2-[2-(3'--methoxy--4'--p-ethyl)] chromone | ||||
| TCMBANKIN014160 | ah18 | 2-phenethyl-7-[[(6R,7S)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]-6-[[(6S,8R)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one; AC1NSUVJ | C51H46O14 | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC4C(C(C(C5=C4C(=O)C=C(O5)CCC6=CC=CC=C6)O)O)O)OC7C(C(C(C8=C7C(=O)C=C(O8)CCC9=CC=CC=C9)O)O)O | |
| TCMBANKIN014176 | 2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol | C15H26O | 222.37 | ||
| TCMBANKIN014477 | Phenylpropynoic acid | 637-44-5; Propiolic acid, phenyl-; NSC 13669; NSC13669; 2-Propynoic acid, 3-phenyl-; AD-266/40164861; ST5208978; Propiolic acid, phenyl- (8CI); Phenylacetylene monocarboxylic acid; 3-Phenylpropiolic acid; Propiolic acid, 3-phenyl-; EINECS 211-285-8; 3-phenylprop-2-ynoic acid; 78982_FLUKA; AI3-17875; Phenylpropiolic acid; 3-Phenylpropynoic acid; P31205_ALDRICH; Phenylacetylenecarboxylic acid | C9H6O2 | 146.14 | C1=CC=C(C=C1)C#CC(=O)O |
| TCMBANKIN014552 | 6-methoxy--2-[2-(3'--methoxy--4'--p-ethyl)] chromone | ||||
| TCMBANKIN014908 | ZINC00388662 | C12H20O2 | 196.29 | ||
| TCMBANKIN015131 | linderoxide | C16H20O2 | 244.33 | CC12CC3=C(CC1C(=C)C4C2C4)C(=CO3)COC | |
| TCMBANKIN015220 | (6R)-6-isopropyl-3-methyl-1-cyclohex-2-enone | 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-; (R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one; EINECS 224-957-0; (6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 4573-50-6; (6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one | C10H16O | 152.23 | CC1=CC(=O)C(CC1)C(C)C |
| TCMBANKIN015754 | 2-[(2R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol | 2-[(2R,5R,6R)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol | C15H26O | 222.37 | |
| TCMBANKIN016115 | 4,5,9,10-Dehydro-isolongifolene | 200.35 | |||
| TCMBANKIN017641 | ah21 | C34H28O8 | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC4=C(C=C3O2)OC5C(C(C6=C(C5O4)C(=O)C=C(O6)CCC7=CC=CC=C7)O)O | ||
| TCMBANKIN018462 | dihydrokoumine | C20H24N2O | CN1CC2(C3CC4C5C2(CC1C3CO4)C6=CC=CC=C6N5)C=C | ||
| TCMBANKIN018592 | (+)-1,5-Epoxy-nor-ketoguaia-11-ene | (+)-1,5-epoxy-nor-ketoguaia-11-ene; 1,5-Epoxy-14-nor-11-guaien-10-one | C14H20O2 | 220.31 g/mol | CC1CCC23C1(O2)CC(CCC3=O)C(=C)C |
| TCMBANKIN019171 | dehydrojinkoheremol | 1,9-Eremophiladien-11-ol; AC1NSUB4; 2-(8,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalen-2-yl)propan-2-ol | C15H24O | 220.35 g/mol | CC1CC=CC2=CCC(CC12C)C(C)(C)O |
| TCMBANKIN019532 | 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11) | 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone(ah11); 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone (ah11); 8-hydroxy-5-(6-hydroxy-4-oxo-2-phenethylchromen-5-yl)-2-phenethylchromen-4-one; AC1NSUX5; 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone(ah11) | C34H26O6 | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3C4=C5C(=O)C=C(OC5=C(C=C4)O)CCC6=CC=CC=C6)O | |
| TCMBANKIN020195 | (+)-Ledol | 577-27-5; C09698; 1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha))- | C15H26O | 222.37 g/mol | CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
| TCMBANKIN020261 | andrographidine A | andrographidine a; andrographidine A_qt; 7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one; AC1NSWVK | C23H26O10 | 462.4 g/mol | COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC4C(C(C(C(O4)CO)O)O)O)OC |
| TCMBANKIN020884 | isoagastachoside | AC1NSWX2; [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl] acetate | C24H24O11 | CC(=O)OC1C(C(C(OC1OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)CO)O)O | |
| TCMBANKIN021543 | (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-[2-(2-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one | 334.35 | |||
| TCMBANKIN021927 | dodeca-1,4-dien-3-one | NCIOpen2_000473; (4E)-dodeca-1,4-dien-3-one | C15H16O2 | 228.29 | CCCCCCCC=CC(=O)C=C |
| TCMBANKIN022208 | jinkohol ii | 2,3,4,5,6,7,8,8abeta-Octahydro-3beta,8,8-trimethyl-1H-3abeta,6beta-methanoazulene-7alpha-methanol | C14H24O | 208.34 g/mol | CC1CCC2C13CCC(C3)C(C2(C)C)O |
| TCMBANKIN022449 | 4-en-1,3-bis(4-hydroxyphenyl)-1-one | ||||
| TCMBANKIN022514 | (3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde | (3R)-7-hydroxy-3-isopropenyl-5-tetralincarboxaldehyde; (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde | C14H16O2 | 216.28 | |
| TCMBANKIN022559 | 14-deoxy-11-oxa-andrographolide | CC12CCC(C(C1CCC(=C)C2C(=O)CC3=CCOC3=O)(C)CO)O | |||
| TCMBANKIN022919 | Paniculogenin | paniculogenin; (25S)-5alpha-spirostan-3beta,6alpha,23S-triol; AC1LCU9T; LMST01080021; 16750-37-1 | C27H44O5 | 448.64 | CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)O)C)C)OC1)O |
| TCMBANKIN023035 | ah19b | C51H46O14 | |||
| TCMBANKIN023231 | methyl 9-hydroxyselina-4,11-dien-14-oate | ||||
| TCMBANKIN023472 | neoarctin b | C17683; neoarctin B; CHEBI:81272 | C42H46O12 | 742.8 g/mol | COC1=CC(=CC(=C1O)OC)CC2C(COC2=O)CC3=CC(=C(C=C3)C4=C(C=C(C=C4)CC5COC(=O)C5CC6=CC(=C(C(=C6)OC)O)OC)OC)OC |
| TCMBANKIN024517 | 6-methoxy-2-acetyl-3-methyl-1,4-naphtho-quinone-8-o-β-d-glucopyranoside | C20H22O10 | |||
| TCMBANKIN025152 | andrographidine E | BRD-K87413565-001-01-1; andrographidine e; 113963-41-0; NCGC00169250-01; 4H-1-Benzopyran-4-one,5-(b-D-glucopyranosyloxy)-7,8-dimethoxy-2-(2-methoxyphenyl)-; ACon1_000899; AndrographidineE; 7,8-dimethoxy-2-(2-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; AKOS032961831; MEGxp0_000980; Andrographidine E; AC1NSWX5 | C24H26O11 | 490.46 | COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)OC |
| TCMBANKIN025755 | 3-Dehydroshikimate | (4S,5R)-4,5-dihydroxy-3-keto-cyclohexene-1-carboxylic acid; CHEBI:30918; (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid; C02637; (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid; (4S,5R)-4,5-dihydroxy-3-oxo-1-cyclohexenecarboxylic acid; (4S,5R)-4,5-dihydroxy-3-oxo-cyclohexene-1-carboxylic acid | C7H8O5 | 172.14 | C1C(C(C(=O)C=C1C(=O)O)O)O |
| TCMBANKIN026806 | (?)-selina-3,11-dien-9-one | C15H22O | 218.33 g/mol | CC1=CCCC2(C1CC(CC2=O)C(=C)C)C | |
| TCMBANKIN027732 | ah19a | C51H46O14 | |||
| TCMBANKIN028541 | Linderazulene | CHEMBL503851; 489-79-2; Azuleno[6,5-b]furan, 3,5,8-trimethyl- (6CI,7CI,8CI,9CI); 1,5,8-trimethylazuleno[6,5-b]furan; 3,5,8-Trimethylazuleno[6,5-b]furan; azuleno[6,5-b]furan, 3,5,8-trimethyl-; linderazulene; AC1LCUV1; CTK1D6315; 1,5,8-trimethylazuleno[6,7-b]furan; DTXSID20349625 | C15H14O | 210.27 | CC1=C2C=C3C(=COC3=CC(=C2C=C1)C)C |
| TCMBANKIN028771 | andrographidine C | NP-002878; 7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; ZINC31158506; 4H-1-Benzopyran-4-one,5-(b-D-glucopyranosyloxy)-7,8-dimethoxy-2-phenyl-; andrographidine c; MEGxp0_000979; NCGC00169320-01; ACon1_000827; 9090AF; 113963-39-6; AC1NSWWH; MolPort-001-741-139; AndrographidineC; 7,8-DIMETHOXY-2-PHENYL-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; BRD-K25584367-001-01-4; BG01748901; Andrographidin C; Andrographidine C | C23H24O10 | 460.43 | COC1=C(C2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4)OC |
| TCMBANKIN028848 | sinenofuranol | C14H24O2 | 224.34 g/mol | CC1(C2CCCC3CCC(C3(C2)O1)CO)C | |
| TCMBANKIN029238 | baimuxiniol | ||||
| TCMBANKIN029243 | Andrographin | AC1NSWXN; andrographin; 5-Hydroxy-2/',7,8-trimethoxyflavone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4-chromenone; 1165-40-8; 5-Hydroxy-2',7,8-trimethoxyflavone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one; LMPK12111316; SCHEMBL6069963; 5-hydroxy-7,8,2'-trimethoxyflavone; Skullcapflavone I 2'-methyl ether | C18H16O6 | 328.32 | COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
| TCMBANKIN029381 | 19-glucosyl-deoxyandrographolide | ||||
| TCMBANKIN029504 | 4-methoxy-5-methyl-coumarin-7-O-β-D- glucopyranoside | ||||
| TCMBANKIN029655 | andrographidine D | andrographidine d | 520.53 | COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)OC | |
| TCMBANKIN029806 | 14-deoxy-11 | ||||
| TCMBANKIN030984 | neopetasone | (3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one; 13902-42-6; Eremophyla-9,11-dien-8-one; Neopetasane; DIZRSLUNVNGBPA-NJZAAPMLSA-N; AC1NSZ2P; SCHEMBL7711305 | C15H22O | 218.33 g/mol | CC1CCCC2=CC(=O)C(CC12C)C(=C)C |
| TCMBANKIN032050 | ah20 | AC1NSUVY; 2-phenethyl-5-[[(5S,8S)-5,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-6-yl]oxy]-8-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one | C51H46O14 | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)OC4=C5C(=O)C=C(OC5=C(C=C4)OC6C(C(C(C7=C6C(=O)C=C(O7)CCC8=CC=CC=C8)O)O)O)CCC9=CC=CC=C9)O)O | |
| TCMBANKIN032355 | 2-[(2S,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol | 2-[(2S,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol | C15H26O | 222.37 | |
| TCMBANKIN032410 | Paniculide B | paniculide b | C15H20O5 | 280.32 | CC(=CCCC1=C2C(CC3(C(C2O)O3)CO)OC1=O)C |
| TCMBANKIN032653 | Guaiol | Spectrum3_001870; Guai-1(5)-en-11-ol; NSC19941; SCHEMBL18965701; C09676; 489-86-1; 448575_ALDRICH; Guaiac alcohol; 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-; 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; 38730A; Champacol; [3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; (−)-Guaiol; CHEBI:5552; BSPBio_003320; guaiol; 50900_FLUKA; 29242_FLUKA; SPECTRUM1800009; (3R,6S,10S)-6,10,alpha,alpha-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol; Champaca camphor; KBio3_002822 | C15H26O | 222.37 | CC1CCC(CC2=C1CCC2C)C(C)(C)O |
| TCMBANKIN032920 | isolinderoxide | isolind-eroxide | C16H20O2 | 244.33 | CC1=C2CC3=C(CC2C4C1C4)OC=C3COC |
| TCMBANKIN033352 | 6, 7-dehydroartemisinic acid | 6,7-dehydroartemisinic acid; 6,7-dehydroartemisinicacid | |||
| TCMBANKIN033723 | Deoxyandrographolide | 4-[2-[(4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one; BG01310040; AC-20219; DTXSID60616868; 79233-15-1; ANDROGRAPHOLIDE, DEOXY-; deoxyandrographolide; ZINC21992845; 9342AF; MolPort-005-938-522; AKOS015965180; 3-{2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5H)-one; 3-{2-[(4AS,5R,6R,8AR)-6-HYDROXY-5-(HYDROXYMETHYL)-2,5,8A-TRIMETHYL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL]ETHYL}-5H-FURAN-2-ONE; AN-36619; CS-3655; AK546859; HY-N0857; 14-deoxyandrographolide(14-DAP) | C20H30O4 | 334.45 | CC1=C(C2(CCC(C(C2CC1)(C)CO)O)C)CCC3=CCOC3=O |
| TCMBANKIN034198 | acetic acid | AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 | C5H10O3 | 118.13 | CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| TCMBANKIN034293 | (?)-selina-3,11-dien-14-al | C15H22O | 218.33 g/mol | CC(=C)C1CCC2(CCC=C(C2C1)C=O)C | |
| TCMBANKIN034307 | selinane | C15H28 | 208.38 g/mol | CC1CCCC2(C1CC(CC2)C(C)C)C | |
| TCMBANKIN034769 | nubigenol | 5,7,4'-trihydroxy-3α-hydroxydihy-droehalcone | C15H14O6 | 290.27 | C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2O)O)O)O)O |
| TCMBANKIN035440 | dauricine | AKOS015965146; AC-20217; SCHEMBL677474; 524-17-4 | C38H44N2O6 | 624.77 | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
| TCMBANKIN035501 | ZINC00968101 | C10H18O | 154.25 | ||
| TCMBANKIN036792 | rhein | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid; 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-; 4,5-dihydroxy-7-methyl-9,10-dioxo-anthracene-2-carboxylic acid; SBB001152; C10401; AIDS001379; CCRIS 5129; Rhein; MLS000069639; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo- (8CI); 4,5-DiOH-anthraquinone-2-COOH; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-; ACon1_000217; 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-7-methyl-9,10-dioxo-; 4,5-dihydroxy-anthraquinone-2-carboxylic acid; SMR000058210; 4,5-Dihydroxy-2-anthraquinonecarboxylic acid; 1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE; 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; MEGxp0_001866; LMPK02000044; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracene carboxylic acid; AC1MHQNE; Rhubarb yellow; 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid; 1,8-Dihydroxyanthraquinone-3-carboxylic acid; 275611_ALDRICH; NSC38629; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; 4-10-00-04088 (Beilstein Handbook Reference); EINECS 207-521-4; Chrysazin-3-carboxylic acid; NSC 38629; Rhein (1,8-dihydroxy-3-carboxyl anthraquinone); 478-43-3; Monorhein; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid; Cassic acid; 4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid; Rheic acid; AIDS-001379; 4,5-Dihydroxyanthraquinone-2-carboxylic acid; SCHEMBL18601968; R7269_SIGMA; NCGC00023342-03; 4,5-dihydroxy-7-methyl-9,10-dioxoanthracene-2-carboxylic acid; BRN 2222155; 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid | C15H10O6 | 286.236 | c1([H])c(O[H])c(C(=O)[C@]([H])(C(O[H])=C([H])C(C(O[H])=O)=C2[H])[C@@]2([H])C3=O)c3c([H])c1[H] |
| TCMBANKIN036835 | wogonin | CTK5B8471; AIDS-001403; CCG-208499; ZB015158; 5,7-dihydroxy-8-methoxyflavone; ZINC899093; 5,7-dihydroxy-8-methoxy-2-phenyl-chromone; BG01576594; AN-46964; 632-85-9; V1530; MCULE-9854289767; 5,7-dihydroxy-8-methoxy-2-phenyl-4-chromenone; Vogonin; AIDS001403; NSC717845; SC-25044; 10-29-7; AC1NQYXJ; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin); NCGC00247464-01; IN1943; ZINC111327191; BN0711; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-; s4743; SR-05000002216-2; Norwogonin 8-methyl ether; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; HY-N0400; BDBM50140257; MFCD12828871; ST077088; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; DTXSID70212557; 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one; 632W859; MFCD00017736; CHEBI:10043; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; BRN 0287152; Wogonin; N1283; SCHEMBL139083; LMPK12111330; I14-8669; NCI60_040649; HMS2270G08; FT-0603499; wagonin; 5-18-04-00571 (Beilstein Handbook Reference); Q-100730; MolPort-001-742-489; SMR001397111; POK93PO28W; AC-20338; MLS002473006; SR-05000002216; CS-3959; CHEMBL16171; D00MXS; 4CN-1056; wogonin ; AKOS015917860; UNII-POK93PO28W; TR-021802; NSC-717845; C-17890; LS-68974; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; XLTFNNCXVBYBSX-UHFFFAOYSA-N; C10197; GP7400; 5,7-Dihydroxy-8-methoxyflavone | C16H12O5 | 284.26 | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
| TCMBANKIN036855 | boldine | Boldine chloroform; 1,10-Dimethoxy-2,9-dihydroxyaporphine; C09365; NSC65689; 1,10-Dimethoxy-6a-alpha-aporphine-2,9-diol; NSC 65689; Prestwick3_000600; 5-21-06-00118 (Beilstein Handbook Reference); BSPBio_000480; CAS-476-70-0; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-; NCGC00016454-01; TNP00245; BPBio1_000528; BRN 0094036; 476-70-0; NCGC00017314-01; Aprophine alkaloid; AIDS002648; EINECS 207-509-9; 5,6,6a,7-Tetrahydro-1,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-2,9-diol; 6aalpha-Aporphine-2,9-diol, 1,10-dimethoxy- (8CI); [S]-2,9-dihydroxy-1,10-dimethoxyaporphine; Prestwick_46; STOCK1N-49612; AIDS-002648; 6a-alpha-APORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; Uniboldina; boldine | C19H21NO4 | 327.374 | c1(O[H])c([H])c2c([C@]([H])(C([H])([H])c(c([H])c(O[H])c(OC([H])([H])[H])c3[H])c34)N(C([H])([H])[H])C([H])([H])C2([H])[H])c4c1OC([H])([H])[H] |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN036966 | Norketoagarofuran | nor-ketoagarofuran | 222.32 g/mol | ||
| TCMBANKIN037117 | β-Agarofuran | beta-agarofuran | 220.35 g/mol | ||
| TCMBANKIN037238 | Jinkohol | 2,3,4,5,6,7,8,8abeta-Octahydro-3beta,7,8,8-tetramethyl-1H-3abeta,6beta-methanoazulen-7alpha-ol | C15H26O | 222.366 | C1([H])([H])[C@]2([H])[C@@]3(C([H])([H])[C@@]([H])(C([H])([H])C3([H])[H])[C@@](O[H])(C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H] |
| TCMBANKIN037266 | Karounidiol | D:C-Friedo-oleana-7,9(11)-diene-3 alpha,29-diol]; (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-methylol-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol; (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol; NCI60_037647; karounidiol; CCRIS 7117; 26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-,(3alpha,13alpha,14beta,20alpha)-; 3-epi-Karounidiol; NSC705536; D:C-Friedooleana-7,9(11)-diene-3.alpha.,29-diol | C30H48O2 | 440.7 | CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C |
| TCMBANKIN037308 | β-Eudesmol | 2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol | 222.37 | ||
| TCMBANKIN037382 | Aloeemodin | AC1Q6JR7; SMP2_000291; Aloe-emodol; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; DSSTox_RID_78855; AS-11638; NCGC00163510-02; HY-N0189; CCG-208456; Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard; AJ-48016; DTXSID2030695; BC216172; TL8003252; 3-(Hydroxymethyl)chrysazin; MLS000697563; BBL027838; 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione; AK160272; 481-72-1; aloe emodine; MCULE-6965338444; RP29614; 1, 8-dihydroxy-3-hydroxymethylanthraquinone; BB_NC-2562; NCGC00255349-01; C10294; SR-01000765772; BG00617009; 9, 1,8-dihydroxy-3-(hydroxymethyl)-; ST24045939; DSSTox_CID_10695; Tox21_302400; NCGC00163510-03; Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #; 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI; Aloeemodin; s2259; CS-3709; TR-031339; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 4-08-00-03578 (Beilstein Handbook Reference); AIDS-048396; InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H; 1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthrachinon; CAS-481-72-1; EINECS 207-571-7; UNII-C8IYT9CR7C; LMPK13040002; AC-020; NSC-38628; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene; 1,8-dihydroxy-3-methylol-9,10-anthraquinone; CCRIS 3526; AC1L1UPK; BG01563188; LS-2202; 1,8-dihydroxy-3-hydroxymethyl-anthraquinone; Aloe emodin; AX8006287; SR-01000765772-3; Q-100526; SC-46578; 3-Hydroxymethylchrysazin; Rhabarberone; AIDS048396; NSC 38628; BRN 2059062; C8IYT9CR7C; N1851; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; AB0010470; Aloe-emodin, >=95% (HPLC); ZINC4098644; aloe emodin; HMS3655N16; D09BUG; CHEMBL40275; 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin); NCGC00163510-01; MLS006011799; 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone; AN-16215; NCI60_003685; Aloeemodin:9,10-Anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-,; cid_10207; 3-Hydroxymethylchrysazine; Aloe-emodin; SMR000470920; aloeemod-in; MFCD00017373; LMPK02000031; STL146380; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-; MolPort-003-931-716; FT-0622062; aloe-emodin; API0001418; 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; Rottlerin?; ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-; A7687_SIGMA; I14-1413; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI); CA-417; BDBM50085551; Aloe-emodine; YDQWDHRMZQUTBA-UHFFFAOYSA-N; NSC38628; Aloe-emodin, analytical standard; AKOS005720864; aloe-emodin ; SCHEMBL309756; 481A721; EMODINE; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-; CHEBI:2607; DSSTox_GSID_30695; CA0128 | 270.24 | ||
| TCMBANKIN037445 | 14-deoxy-15-isopropylidene-11,12-didehydro-andrographolide | C23H32O4 | 372.5 g/mol | CC(=C1C=C(C(=O)O1)C=CC2C(=C)CCC3C2(CCC(C3(C)CO)O)C)C | |
| TCMBANKIN037492 | agarol | C15H20O3 | 248.32 | CC1CC2C(CC(=O)C3=COC(=C23)C1O)C(C)C | |
| TCMBANKIN037590 | (5S,6S,7S,8R)-2-(2-Phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone (AH14) | (5s,6s,7s,8r)-2-(2-phenylethyl)-6,7,8-trihy-droxy-5,6,7,8-tetrahydro-5-[2-(2-phenylethyl)chromonyl-6-oxy]chromone (ah14); (5s,6s,7s,8r)-2-(2-phenylethyl)-6,7,8-trihy-droxy-5,6,7,8-tetrahydro-5-[2-(2-phenylethyl)chromonyl-6-oxy]chromone(ah14); (5s,6s,7s,8r)-2-(2-phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone(ah14) | C34H30O8 | c1([H])c([H])c([H])c([H])c(C([H])([H])C([H])([H])C2=C([H])C(=O)C([C@]([H])(Oc3c([H])c([H])c(OC(C([H])([H])C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])=C([H])C5=O)c5c3[H])[C@@]([H])(O[H])[C@]([H])(O[H]) [C@@]6([H])O[H])=C6O2)c1[H] | |
| TCMBANKIN037715 | isoaromadendrene epoxide | Isoaromadendrene epoxide | C15H24O | 220.35 | C([H])([H])([H])[C@@]1([H])[C@]([H])([C@@]2([H])[C@@]([H])(C([H])([H])[C@@]3([H])[C@]4(C([H])([H])[H])O3)C2(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])C([H])([H])C1([H])[H] |
| TCMBANKIN038036 | (-)-guaia-1(10),11-dien-15,2-olide | 234.334 | CC1CC2C3C1CC(CCC3C(=O)O2)C(=C)C | ||
| TCMBANKIN038194 | Andrographoside | C26H40O10 | 512.6 g/mol | [C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(OC([H])([H])[C@]2(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])(C([H])([H])\C([H])=C(/C(=O)OC3([H])[H])\[C@ ]3([H])O[H])C(=C([H])[H])C([H])([H])C4([H])[H])[C@@]24[H])[C@]([H])(O[H])[C@@]1([H])O[H] | |
| TCMBANKIN038891 | (+)-selina-3,11-dien-9-ol | C15H24O | 220.35 g/mol | CC1=CCCC2(C1CC(CC2O)C(=C)C)C | |
| TCMBANKIN040702 | Globulol | viridiflorol | C15H26O | 222.366 | [C@@]1(C([H])([H])[H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C2(C([H])([H])[H])C([H])([H])[H])[C@]2([H])[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]13[H] |
| TCMBANKIN040737 | (2S)-5,7,2',3'-Tetramethoxyflavanone | ||||
| TCMBANKIN040859 | andrographiside | NP-007511; Andrographiside; 82209-76-5; CHEMBL519275; ZINC42878570; MolPort-005-944-954; NCGC00385287-01_C26H40O10_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-; (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-Decahydro-6-hydroxy-5-[(beta-D-glucopyranosyloxy)methyl]-5,8a-dimethyl-2-methylenenaphthalene-1-yl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone; Andrographoside; 9091AF; andro-graphiside; (3E,4S)-3-{2-[(1R,4AS,5R,6R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-METHYLIDENE-5-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYLIDENE}-4-HYDROXYOXOLAN-2-ONE; MCULE-2506230438 | C26H40O10 | 512.6 g/mol | CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN040879 | 5β,6-dihydrosamaderine a | C18H20O6 | CC1=CC(=O)C2(C1CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C | ||
| TCMBANKIN041053 | 5-hydroxy-7,2',6'-trimethoxyflavone | 2-(2,6-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one; 5-Hydroxy-7,2',6'-trimethoxyflavone; AC1NSWRG; LMPK12110136 | C18H16O6 | 328.3 g/mol | COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041318 | 6-Hydroxy-2-methyl-5-(5'-hydroxy-1'(R),5'-dimethylhex-3'-enyl)-phenol | ||||
| TCMBANKIN041935 | linderalactone | ST24035668; LWCKQMHMTSRRAA-QGQQYVBWSA-N; C17425; AKOS015897170; I07-0309; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6.alpha.-hydroxy-, .gamma.-lactone, (E)-(+)-; Linderalactone; MCULE-1529191421; 6H-4,7-Methenofuro[3,2-c]oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, [R-(E)]-; MolPort-005-945-802; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (4R,10E)-; 857366-20-2; 728L610; 728-61-0; AK103578; isolinderalactone; (R,E)-3,11-Dimethyl-8,9-dihydro-4H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6(12H)-one; 32663-41-5; ZINC13532008; NCGC00385309-01_C15H16O3_(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (R-(E))-; CHEMBL1080239; (1R,8E)-3,8-DIMETHYL-5,14-DIOXATRICYCLO[10.2.1.0(2),?]PENTADECA-2(6),3,8,12(15)-TETRAEN-13-ONE; NP-013325; AJ-64075; CHEBI:69074; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6alpha-hydroxy-, gamma-lactone, (E)-(+)-; 1312AC | C15H16O3 | 244.29 | CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
| TCMBANKIN042446 | (+)-Methyl selina-4,11-dien-14-oate | methyl 4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carboxylate; AC1NSYLA | C16H24O2 | 248.361 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C2([H])[H])C2=C(C(OC([H])([H])[H])=O)C1([H])[H] |
| TCMBANKIN042874 | baimuxinal | CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal | C15H24O2 | 236.35 | CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
| TCMBANKIN042881 | Mono-O-methylwightin | 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromone; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one; 2-(2,3-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one; LMPK12111317; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4-chromenone; mono-o-methylwightin; AC1NSYRB; 5-hydroxy-7,8,2',3'-tetramethoxyflavone; SCHEMBL15572930; 5-Hydroxy-2',3',7,8-tetramethoxyflavone; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromen-4-one | C19H18O7 | 358.3 g/mol | COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
| TCMBANKIN043585 | Velleral | velleral | 232.32 | ||
| TCMBANKIN043806 | neolinderalactone | C15H16O3 | 244.29 | CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O | |
| TCMBANKIN043818 | andrograpanin | Andrograpanin, analytical standard; 3,14-Dideoxyandrographolide; 2(5H)-Furanone, 3-(2-((1R,4aS,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-; ZINC31163472; 82209-74-3; UNII-89M92UDM18; CHEMBL518137; 3-{2-[(1R,4AS,5R,8AS)-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYL}-5H-FURAN-2-ONE; 89M92UDM18; API0013559 | C20H30O3 | 318.4 g/mol | CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)CO |
| TCMBANKIN044899 | Methyl 11α-hydroxytormentate | methyl 11alpha-hydroxytormentate; AC1NSYG4; methyl (12aS)-1,10,11,13-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | |||
| TCMBANKIN045079 | 2-tetradecenoic acid | trans-tetradec-2-enoic acid; EINECS 254-492-9; LMFA01030047; 39525-69-4; Tetradec-2-enoic acid; CHEBI:37271; (2E)-tetradec-2-enoic acid; (E)-tetradec-2-enoic acid | C14H26O2 | 226.355 | C(O[H])(=O)\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN045210 | 6-hydroxy-2-[2-(4'-methoxyphenyl)-ethyl] chromone | 6-hydroxy-2-[2-(4'-methoxyphenyl)ethyl]chromone | 292.372 | ||
| TCMBANKIN045638 | beta-Sitosterol-3-O-beta-D-xylopyranoside | AC1O3E0X; beta-sitosterol-3-o-beta-d-xylopyranoside; (2S,3R,4S,5R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-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-yl]oxy]oxane-3,4,5-triol; β-sitosterol-3-o-β-d-xylopyranoside; beta-Sitosterol-3-O-beta-D-xylopyranoside_qt | 546.92 | ||
| TCMBANKIN045848 | (+)-selina-3,11-dian-9-one | 218.335 | |||
| TCMBANKIN046138 | alpha-agarofuran | alpha-Agarofuran; α-agarofuran; Α- agarofuran; 5956/12/7; SCHEMBL17627627 | C15H24O | 220.35 g/mol | CC1=CCCC2(C13CC(CC2)C(O3)(C)C)C |
| TCMBANKIN046190 | agarospirol | AC1L6CVK; ICWHTQRTTHCUHW-UHFFFAOYSA-N; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; 23811-08-7; NSC-152472; NSC152472; Agaruspirol; AC1Q76LW; CTK5A9809; 59331-07-6; 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol; Hinesol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #; 2-{6,10-DIMETHYLSPIRO[4.5]DEC-6-EN-2-YL}PROPAN-2-OL | C15H26O | 222.37 | CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
| TCMBANKIN046272 | 14-Deoxy-11,12-didehydroandrographolide | MLS001143514; CHEMBL1326087; 4-[(E)-2-[(1R,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]vinyl]-2H-furan-5-one; SMR001215698; 3-[(E)-2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)-6alpha-hydroxydecalin-1alpha-yl]vinyl]furan-2(5H)-one; 14-deoxy-11,12-didehydroandrographolide; SCHEMBL13583643; HMS2270M24 | C20H28O4 | 332.43 | CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)CO)O |
| TCMBANKIN046344 | 7-hydroxy-2-(2-phenylethyl)chromone | C17H14O3 | 266.29 g/mol | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=C(C=C3)O | |
| TCMBANKIN046651 | benzylacetone | NSC813; ZINC01587606; 1-Phenyl-3-butanone; Benzyl acetone; NCGC00090923-01; benzyl acetone; BRN 1907123; beta-Phenylethyl methyl ketone; B16003_ALDRICH; NSC 813; 4-07-00-00713 (Beilstein Handbook Reference); NSC 44829; Methyl phenethyl ketone; EINECS 219-847-4; Phenethyl methyl ketone; Methyl 2-phenylethyl ketone; 2550-26-7; 2-Butanone, 4-phenyl-; benzylacetone; Methyl phenylethyl ketone; 4-Phenylbutan-2-one; NSC44829; AI3-15123; 4-Phenyl-2-butanone | C10H12O | 148.202 | O=C(C([H])([H])[H])C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| TCMBANKIN047021 | 8-methylandrograpanin | ||||
| TCMBANKIN047105 | dehydrojucabione | 264.36 | |||
| TCMBANKIN047216 | dihydrokaranone | (?)-Dihydrokaranone; (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one; (4aR,5S)-3-isopropylidene-4a,5-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one; dihydrokaranone; 19598-45-9 | C15H22O | 218.335 | C1(=O)\C(=C(/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[C@@]2(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])=C1[H] |
| TCMBANKIN047278 | jinkohol i | C15H26O | |||
| TCMBANKIN047970 | 14-deoxyandrographolide | 14-deoxyandrographolide-19-β-D-glucoside_qt; 14-deoxy-andrographolide | C20H30O4 | 334.45 | C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])(C([H])([H])C([H])([H])C2=C([H])C([H])([H])OC2=O)C(=C([H])[H])C([H])([H])C3([H])[H])[C@@]3([H])[C@](C([H])([H])[H])(C([H])([H])O[H])[C@]1([H])O[H] |
| TCMBANKIN048328 | Kuwanone G | SCHEMBL16362642; ALBANIN F; Kuwanone G; 2-(2,4-dihydroxyphenyl)-8-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; AC1NYHC0; 8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one; moracenin b | C40H36O11 | 692.7 g/mol | c1([C@@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])[C@@]([H])(c3c([H])c([H])c(O[H])c([H])c3O[H])[C@@]2(C(=O)c4c(O[H])c([H])c(O[H])c([H])c4[H])[H])c(OC(c5c([H])c([H])c(O[H])c([H])c5O[H])=C(C([H])([H])\C( [H])=C(/C([H])([H])[H])\C([H])([H])[H])C6=O)c6c(O[H])c([H])c1O[H] |
| TCMBANKIN048341 | (+)-guaia-1(10),11-dien-9-one | 6,10-Dimethyl-3-(1-methylethenyl)bicyclo[5.3.0]dec-6-en-5-one; AC1NSW3I; YMXAKLYWISOQCM-UHFFFAOYSA-N; 1,4-dimethyl-7-prop-1-en-2-yl-2,3,6,7,8,8a-hexahydro-1H-azulen-5-one | C15H22O | 218.33 g/mol | CC1CCC2=C(C(=O)CC(CC12)C(=C)C)C |
| TCMBANKIN048817 | baimuxinic acid | baimuxinicacid | C15H24O3 | 252.349 | C1([H])([H])C([H])=C(C(O[H])=O)[C@@]2(C([H])([H])C([H])([H])[C@@]([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H] |
| TCMBANKIN049378 | 1,3,6-Trihydroxy-2-methyl-9,10-anthra-quinone-3-O-(6'-O-acetyl)-beta-D-glucoside | 1,3,6-trihydroxy-2-methyl-9,10-anthra-quinone-3-o-(6'-o-acetyl)-β-d-glucoside | C23H22O11 | 474.414 | c12c(C(=O)c(c(O[H])c(C([H])([H])[H])c(O[C@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])OC(=O)C([H])([H])[H])O3)c4[H])c4C1=O)c([H])c([H])c(O[H])c2[H] |
| TCMBANKIN049468 | Dehydroandrographolide | 3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-2-furanone; 3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]furan-2-one; A806775; 3-{2-[6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYLIDENE}FURAN-2-ONE; 2(3H)-Furanone, 3-[2-[(1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (3E)-; ACMC-20mvct; 3-[2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one | 332.4 g/mol | ||
| TCMBANKIN050261 | (5s,6s,7r,8s)-2-(2-phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]chromone (ah15) | (5s,6s,7r,8s)-2-(2-phenylethyl)-6,7,8-trihy-droxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]-chromone(ah15); (5s,6s,7r,8s)-2-(2-phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]chromone(ah15) | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)O)OC4C(C(C(C5=C4C(=O)C=C(O5)CCC6=CC=CC=C6)O)O)O | ||
| TCMBANKIN058284 | 5α,6β,7α,8β-tetrahydroxy-2-[2-(2'-hydroxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone | 5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(2'-methoxy-phenyl) ethyl]-5,6,7,8-tetrahydrochromone(ah2b);5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(2'-hydroxy phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah23);5α,6β,7β,8α-tetrahydroxy-2-[2-(2'-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromone | C17H18O7 | C1=CC=C(C(=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O)O | |
| TCMBANKIN058339 | 3-PhenylpropionicAcid | hydrocinnamic acid; Benzenepropanoic acid; HCI; phenylpropionic acid; InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11; Benzenepropionic acid; Dihydrocinnamic acid; 4-09-00-01752 (Beilstein Handbook Reference); 135232_ALDRICH; W288918_ALDRICH; 3-phenylpropionic acid; BETA-PHENYLPROPIONIC ACID; CCRIS 3199; Hydrocinnamic acid (8CI); NSC9272; Benzenepropanoic acid; AI3-00892; FEMA No. 2889; 56670_FLUKA; .beta.-Phenylpropionic acid; Phenylpropanoic acid; AIDS-110926; 501-52-0; 3-Phenylpropanoic acid; beta-Phenylpropioic acid; Benzylacetic acid; Phenylpropionic acid; C05629; BRN 0907515; NSC 9272; ST5308541; Phenylpropanoate; 3-Phenyl-propionic acid; EINECS 207-924-5; AIDS110926 | C9H10O2 | 150.17 g/mol | C1=CC=C(C=C1)CCC(=O)O |
| TCMBANKIN058340 | Trans-1,7-diphenyl-1-hepten-5-ol | trans-1,7-diphenyl-1-hepten-5-ol; 1,7-diphenyl-5-hydroxy-1-heptene;trans-1,7-diphenyl-1hepten-5-ol;trans-1,7-Diphenyl-1hepten-5-ol | C19H22O | 266.41 g/mol | C1=CC=C(C=C1)CCC(CCC=CC2=CC=CC=C2)O |
| TCMBANKIN058343 | 5,8-dihydroxy-2-(2-phenylethyl) chromone | 5,8-dihydroxy-2-(2-phenylethyl)chromen-4-one; 69809-24-1; 5,8-Dihydroxy-2-(2-phenylethyl) chromone; AIDS132482; 5,8-Dihydroxy-2-(2-phenylethyl)chromone; 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-phenylethyl)-; 5,8-dihydroxy-2-(2-phenylethyl)-4-chromenone; 5,8-Dihydroxy-2-(2-phenylethyl)-4H-chromen-4-one; NSC626537; AIDS-132482;DPEC | C17H14O4 | 282.29 g/mol | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O |
| TCMBANKIN058344 | agarotetrol(ah1) | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O | |||
| TCMBANKIN058345 | (5s,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hy-droxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)chromonyl-6-oxy]chromone (ah13) | (5r,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone(ah13); (5s,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hy-droxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)chromonyl-6-oxy]chromone(ah13); (5r,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone (ah13) | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3)OC4C(C(C(C5=C4OC(=CC5=O)CCC6=CC=CC=C6)O)O)O | ||
| TCMBANKIN058346 | 2-(2-phenylethyl) chromone | 2-(2-phenylethyl)chromone;Flindersiachromone;2-(2-phenylethyl)-4-chromenone; 2-(2-phenylethyl)chromen-4-one; C09007; Chromone, 2-(2-phenylethyl); 4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-; | C17H14O2 | 250.29 g/mol | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 |
| TCMBANKIN058353 | WLN: VHO2R;phenyl ethyl formate | Phenethyl formate (natural); 2-Fenylethylester kyseliny mravenci [Czech]; EINECS 203-220-7; FEMA No. 2864; AI3-18542; Benzyl carbinyl formate; W286400_ALDRICH; Phenylethyl formate; ST5409324; BRN 2044524; 2-phenylethyl methanoate; Benzeneethanol, formate; FORMIC ACID, PHENETHYL ESTER; Benzylcarbinyl formate; NSC 404456; Benzylcarbinyl methanoate; 2-Phenethyl formate; .beta.-Phenylethyl formate; NSC404456; 2-Phenethyl methanoate; 104-62-1; Phenyl ethyl formate; .beta.-Phenethyl formate; Phenethyl alcohol, formate (8CI); Phenethyl alcohol, formate; Phenethyl formate; 2-Phenylethyl formate; formic acid 2-phenylethyl ester; Formic acid, 2-phenylethyl ester | C9H10O2 | 150.17 g/mol | C1=CC=C(C=C1)CCOC=O |
| TCMBANKIN058356 | benzyl benzoate | BSPBio_003494; Benzylester kyseliny benzoove [Czech]; Scabitox; NCGC00094981-05; Ascabin; Benzyl benzoate, SAJ first grade, >=98.0%; Antiscabiosum; Peruscabina; MLS001336003; Spectrum2_000532; KBio1_000204; s4599; NCGC00258889-01; Vanzoate; Benzoic acid, phenylmethyl ester; MolPort-001-740-297; CTK0H4808; Benzyl benzenecarboxylate; Venzonate; NCGC00094981-01; NCGC00094981-02; Benzyl phenylformate; NINDS_000204; CAS-120-51-4; NCGC00094981-07; Scabiozon; D01138; CHEMBL1239; Ascabiol; Venzoate; Benylate (TN); Benzyl benzoate, natural, >=99%, FCC, FG; Benzyl benzoate, meets USP testing specifications; ANW-17509; CHEBI:41237; SESFRYSPDFLNCH-UHFFFAOYSA-N; NSC8081; Scobenol; Tox21_111372; Caswell No. 082; Benzyl benzoate, Pharmaceutical Secondary Standard; Certified Reference Material; BENZOIC ACID,BENZYL ESTER; Spasmodin; 1dzm; Pharmakon1600-01503002; HSDB 208; DSSTox_RID_78686; AB00052298_07; SMR000471875; Benzyl alcohol benzoic ester; Spectrum3_001757; SCHEMBL3038; C-24290; InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H; WLN: RVO1R; AC-17033; NSC 8081; B0064; Spectrum5_001128; KB-75431; AC1L1DH0; Novoscabin; SR-01000763773-2; Peruscabin; Tox21_201337; FEMA Number 2138; SPBio_000543; NCGC00094981-04; NSC-758204; DTXSID8029153; Acarobenzyl; Benzyl benzoate, >=99%; HMS2269D24; DB00676; DB-041563; BZM; KBioSS_001720; KS-00000UHX; Tox21_111372_1; Benzoic acid-benzyl ester (Benzyl benzoate); Q-200696; RL00855; Benzoesaeurebenzylester; Benzyl benzoate [USAN:JAN]; MLS001066412; Benzyl benzoate, SAJ special grade, >=99.0%; benzylbenzoate; Benzoate de benzyle; MFCD00003075; CCG-39578; Benzyl benzoate 99+ %; N863NB338G; Benzoesaurebenzylester; FEMA No. 2138; Scabide; Colebenz; Benzyl benzoate, ReagentPlus(R), >=99.0%; FT-0622708; SR-01000763773; Benzylbenzenecarboxylate; Benzyl ester; HMS500K06; HMS2092F20; AC1Q661C; Benzyl benzoate, for synthesis, 99.0%; NCGC00257502-01; EPA Pesticide Chemical Code 009501; ZINC1021; CC-24472; Benzylum benzoicum; Tox21_303418; MCULE-4369643785; BG01519431; Benzoic acid phenylmethyl ester; BDBM50134035; benzylbenzoat; DSSTox_GSID_29153; EC 204-402-9; Benzylets; I14-6951; benzoic acid benzyl; SBI-0051748.P002; 120-51-4; Scabanca; LS-2573; ST50406335; Benzyl benzoate, United States Pharmacopeia (USP) Reference Standard; DSSTox_CID_9153; KBio2_004288; Scabagen; ZB000222; KBio2_006856; D0G1VX; NSC-8081; Benzoic acid benzyl ester; FCH2703790; 4-09-00-00307 (Beilstein Handbook Reference); C12537; Spectrum4_000773; Benzyl benzoate, certified reference material, TraceCERT(R); A19449; Benzyl benzoate, tested according to Ph.Eur.; Benzoic acid, benzyl ester; Benzevan; AN-22825; Benzyl benzoate [USP:JAN]; KBio2_001720; Benzyl benzoate (natural); NCGC00094981-03; Benzylester kyseliny benzoove; DivK1c_000204; ACMC-1C8AP; SBB058609; SPECTRUM1503002; RTR-003391; HMS1921P16; IDI1_000204; KBio3_002714; KSC174Q0R; Benzoic acid benzyl ester; Benzoic acid phenylmethyl ester; UNII-N863NB338G; TR-003391; Spectrum_001240; BENZYL BENZOATE; Benzyl benzoate, 99% 250g; Benzylis benzoas; Benzyl benzoate (JP17/USP); Benzoic acid-benzyl ester 5000 ng/microl in n-Hexane; MLS001336004; AI3-00523; CHM0028580; EINECS 204-402-9; Phenylmethyl benzoate; HY-B0935; AKOS003495939; BENZOIC ACID PHENYLMETHYLESTER; NSC758204; Benylate; BENZYL BENZOATE BP98; Benzyl benzoat; Benzyl benzoate, analytical standard; KBioGR_001186; Benzyl benzoate, >=99%, FCC, FG; Benzyl benzoate, Vetec(TM) reagent grade, 98%; BRN 2049280;benzyl benzenecarboxylate;BZM | C14H12O2 | 212.24 g/mol | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
| TCMBANKIN058361 | Diphenylamine | WLN: RMR; EINECS 204-539-4; (phenylamino)benzene; Styrene, reaction product with diphenylamine; ZINC00967716; Oprea1_815288; Caswell No. 398; Diphenylamine, reaction product with 2,2,4-trimethylpentene; DIPHENYL-AMINE; Phenylaniline; Shield DPA; C6H5-NH-C6H5; Poly(diphenylamine); N-Fenylanilin [Czech]; AI3-00781; 33149_RIEDEL; Benzene, (phenylamino)-; CCRIS 4699; N-Phenylbenzenamine; Benzene, anilino-; 86352-05-8; NSC 215210; PS427_SUPELCO; 122-39-4; C11016; No-Scald; CHEBI:4640; No-Scald DPA 283; N-Phenylaniline; Naugalube 428L; Aniline, N-phenyl-; ST5406192; Big Dipper; No scald; NCGC00090889-02; Styrenated diphenylamine; NCGC00090889-01; HSDB 1108; Scaldip; InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13; N,N-Diphenylamine; N-Phenylbenzenamine, styrenated; C.I. 10355; Difenylamin [Czech]; di(phenyl)amine; CI 10355; Deccoscald 282; 112763_ALDRICH; Anilinobenzene; EINECS 270-485-3; Diphenylamine; Benzenamine, N-phenyl-; EPA Pesticide Chemical Code 038501; 45456_RIEDEL; 242586_SIAL; NSC215210;DFA | C12H11N | 169.22 g/mol | C1=CC=C(C=C1)NC2=CC=CC=C2 |
| TCMBANKIN058591 | Deoxypeganin | Spectrum3_001158; BSPBio_002715; Spectrum5_000927; 1,2,3,9-Tetrahydro-pyrrolo[2,1-b]quinazoline; KBioGR_002479; 3-Deoxyvasicine; SPBio_001620; C10656; SDCCGMLS-0066767.P001; KBio3_002215; Deoxypeganine; 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline; Desoxypeganine; 3-Deoxypeganine; Spectrum4_001977; Spectrum2_001690; BAS 00867603; ZINC00265524; Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-; BB_NC-0767;AB00830873-05; MCULE-1061961665; Spectrum5_000927; 1,2,3,9-Tetrahydro-pyrrolo[2,1-b]quinazoline; ZX-AN036960; Desoxypeganine, HF Arzneimittelforschung; STOCK1N-10458; BBL010599; DTXSID40197807; Deoxypeganin; BRD-K13819402-003-02-9; KBioGR_002479; 3-Deoxyvasicine; ALBB-021365; SPBio_001620; 4,5-dihydropyrrolidino[2,1-b]quinazoline; SCHEMBL3387188; C10656; ST092796; AB00830873-04; SDCCGMLS-0066767.P001; AC1L9DLE; STK801663; HMS1672N18; SR-01000783332; KBio3_002215; Deoxypeganine; BDBM50289102; 61939-05-7 (hydrochloride); 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline; D0T5AW; FCH834788; EN300-186641; ZINC265524; pyrrolo[2,1-b]quinazoline, 1,2,3,9-tetrahydro-, hydrochloride; Desoxypeganine; 3-Deoxypeganine; AKOS000591523; Spectrum4_001977; SR-01000783332-4; Spectrum2_001690; CHEBI:4428; BAS 00867603; 495-59-0; CHEMBL355821; Alcoholism therapy, HF Arzneimittelforschung; Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-; MolPort-001-949-689;deoxypeganine | C11H12N2 | 172.23 g/mol | C1CC2=NC3=CC=CC=C3CN2C1 |
| TCMBANKIN058658 | Micheline B | CCRIS 1549; Oxoushinsunin; C09567; 475-75-2; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one; Spermatheridin; NCI60_001798; MEGxp0_001521; BRN 0273167; Spermatheridine; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; NSC93681; NSC215254; Liriodenine; Oxoushinsunine; NSC 215254; 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one; Ushinsunine, oxo-; NORAPORPHIN-7-ONE, 4,5,6,6a-TETRAHYDRO-1,2-(METHYLENEDIOXY)-; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one (9CI); AIDS-008761; AIDS008761; NCI60_042088; NSC 93681; 4-27-00-06585 (Beilstein Handbook Reference) | C17H9NO3 | 275.26 g/mol | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
| TCMBANKIN058679 | norkurarinol | norkurarinol ; Norkurarinol; CHEMBL454647 | C25H30O7 | 442.5 g/mol | CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O |
| TCMBANKIN058715 | (-)-methyl selina-3,11-dien-14-oate | (?)-methyl selina-3,11-dien-14-oate | C16H24O2 | CC(=C)C1CCC2(CCC=C(C2C1)C(=O)OC)C | |
| TCMBANKIN058761 | (E)ocimene | (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene | C10H16 | 136.23 g/mol | CC(=CCC=C(C)C=C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN058894 | santalol | α-santalol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 4R, 6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol; (2Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol; CHEBI:10441; (Z)-beta-santalol; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-; beta-Santalenol; 37172-31-9; (1S-(1alpha, 2alpha(Z), 4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol; beta-santalol; CHEBI:10441; cis-beta-santalol; Santalol, beta-; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha, 2alpha(Z), 4alpha))-; UNII-1DGG9VW8SA | C15H24O | 220.35 g/mol | CC(=CCCC1(C2CCC(C2)C1=C)C)CO |
| TCMBANKIN058961 | p-methoxybenzylacetone | SR-01000944748-1; 65161_FLUKA; OR13500; CHEMBL3184371; 4-(4-Methoxyphenyl)-2-butanone, >=98%, FCC, FG; AN-24670; p-Methoxybenzylacetone; W-108822; FT-0616645; 4-(4-Methoxyphenyl)-2-butanone; CAS-104-20-1; SBB002546; NSC405366; Tox21_113654; Rasberry ketone methyl ether; AKOS000120662; Anisylacetone; 4-(4-Methoxyphenyl)-2-butanone, analytical standard; 1-(p-Methoxyphenyl)-3-butanone; Methyl oxanone; Methoxybenzylacetone, p-; ZINC1235108; 4-(p-Methoxyphenyl)-2-butanone (natural); Jsp000420; AC1L1UCC; AI3-20279; BRN 1869592; 4-Methoxybenzylacetone; GVG47S4S5V; FEMA No. 2672; LS-2896; NCGC00255063-01; ZX-AT014618; 2-Butanone, 4-(p-methoxyphenyl)- (6CI,7CI,8CI); PCBSXBYCASFXTM-UHFFFAOYSA-N; p-Methoxyphenylbutanone; RT-002825; 4-(4-Methoxyphenyl)-2-butanone, 98%; M19600_ALDRICH; AK163318; 2-BUTANONE, 4-(4-METHOXYPHENYL)-; CC-16593; BB_NC-2171; ACMC-2098b8; VF10076; DB-003441; 2-Butanone, 4-(p-methoxyphenyl)-; KB-34461; 4-(4-methoxy-phenyl)-butan-2-one; M0756; C-24497; EINECS 203-184-2; NSC 405366; FEMA 2672; ZINC01235108; Anisylacetone, p-; I01-5625; 1-(4-Methoxyphenyl)-3-butanone; DSSTox_GSID_47166; 4-(4-Methoxyphenyl)butan-2-one; DSSTox_CID_27166; NCGC00248312-02; ST092728; ANW-15042; ZB016111; KSC496A2J; DTXSID5047166; MFCD00008791; BBV-46872299; Tox21_301165; SCHEMBL1334; DSSTox_RID_82167; BBL027730; 1-(p-Methoxyphenyl)-3-butanone-; AC1Q4CHA; STL146341; ENT 20,279; CTK3J6024; MCULE-5951016256; ANISYL ACETONE; CJ-04791; 4-(4-methoxyphenyl)-butan-2-one; Raspberry ketone methyl ether; L571; Anisyl acetone; MolPort-001-758-492; BG00601893; SR-01000944748; NSC-405366; 104-20-1; ZERO/005545; KS-00000UOD; AX8017381; 4-(p-Methoxyphenyl)-2-butanone; UNII-GVG47S4S5V; W267201_ALDRICH; BB_NC-02171; NCGC00248312-01; ST24042959 | C11H14O2 | 178.23 g/mol | CC(=O)CCC1=CC=C(C=C1)OC |
| TCMBANKIN058986 | 5alpha,6beta,7beta,8alpha-tetraacetoxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydro-chromone ah1a) | 5α,6β,7β,8α-tetraacetoxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydro-chromone | CC(=O)OC1C(C(C2=C(C1OC(=O)C)C(=O)C=C(O2)CCC3=CC=C(C=C3)OC)OC(=O)C)OC(=O)C | ||
| TCMBANKIN059086 | Phenol, 2,4-bis(1,1-dimethylethyl) | phenol,2,4-bis(1,1-dimethylethyl);Phenol, 2,4-di(1,1-dimethylethyl)-; Prodox 146A-85X; WLN: 1X1&1&R BQ CX1&1&1; 137731_ALDRICH; ZINC01081075; 96-76-4; EINECS 202-532-0; 2,4-DI-T-BUTYLPHENOL; 1-Hydroxy-2,4-di-tert-butylbenzene; InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H; Phenol, 2,4-di-tert-butyl-; Prodox 146; NSC174502; 4-06-00-03493 (Beilstein Handbook Reference); 2,4-ditert-butylphenol; NSC 174502; ST5308551; 2,4-Di-tert-butylphenol; Phenol, 2,4-bis(1,1-dimethylethyl)-; NCGC00164059-01; 50356-26-8; 34785_FLUKA; BRN 1910383;2,4-di-tert-butylphenol;Antioxidant No. 33 | C14H22O | 206.32 g/mol | CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C |
| TCMBANKIN059178 | benzaldehyde,4-(1-methylethyl) | P-ISOPROPYLBENZALDEHYDE; 4(2-propyl)-benzaldehyde; NSC-4886; 4-(Methylethyl)benzaldehyde; 4-propan-2-ylbenzaldehyde; 4-isopropylbenzaldehyde; NSC4886; WTWBUQJHJGUZCY-UHFFFAOYSA-N; EINECS 204-516-9; (4-isopropyl-phenyl)-methanone; p-Cuminic aldehyde; AJ-24583; KB-39398; AC1Q1P0K; p-(1-methylethyl)benzaldehyde; ZB015528; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; ACMC-1BVEJ; Cumal; C06577; NSC 4886; cumaldehyde; MCULE-4415970320; RP21225; SBB040237; ST50213395; DTXSID9021974; Cumin aldehyde; BDBM50139366; SCHEMBL87226; P-isopropyl benzaldehyde; 4-Isopropyl-benzaldehyde; NCGC00257518-01; TR-030618; cuminic aldehyde; NCGC00248148-01; FEMA No. 2341; 4-(isopropyl)benzaldehyde; LS-2642; p-Isopropylbenzenecarboxaldehyde; CJ-04641; Cuminaldehyde, 98%; AI3-01853; 122-03-2; UNII-O0893NC35F; ANW-17932; p-Isopropylbenzaldehyde, f; 4-(Propan-2-Yl)Benzaldehyde; bmse000508; FT-0624115; 4(isopropyl)benzaldehyde; AN-13943; RTR-030618; Cuminal p-(1-methylethyl)benzaldehyde; KSC176K3D; Cuminadlehyde; DSSTox_RID_76435; ST2418438; MolPort-000-871-215; Cuminaldehyde, analytical standard; p-iso-Propylbenzaldehyde; AC1L18ZP; AS-12957; F2190-0632; EC 204-516-9; ZINC968248; 4-iPr-Benzaldehyde; DSSTox_CID_1974; p-cumic aldehyde; DB-041645; I0168; cuminaldehyde; CHEBI:28671; W-108440; CTK0H6531; AC1Q1ONB; AK-44502; 4-isopropyl benzaldehyde; Cuminyl aldehyde; 4isopropylbenzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; 4-Isopropylphenylcarboxaldehyde; p-isopropyl-benzaldehyde; Benzaldehyde, p-isopropyl-; p-isopropyl benzaldehyde; Cuminaldehyde, >=98%, FCC, FG; I01-7253; Cumic aldehyde; O0893NC35F; 4-Isopropylbenzenecarboxylate; 4-07-00-00723 (Beilstein Handbook Reference); CHEMBL161577; AKOS000119738; BRN 0636547; DSSTox_GSID_21974; Tox21_300712; Cuminaldehyd; MFCD00006953; AC-2430; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; cuminal; CAS-122-03-2; WLN: VHR DY1 & 1;FEMA No. 2341; ZB015528; W-108440; CAS-122-03-2; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; P-ISOPROPYLBENZALDEHYDE; Cumal; C06577; LS-2642; DSSTox_GSID_21974; I01-7253; 4(2-propyl)-benzaldehyde; Cumic aldehyde; TR-030618; EC 204-516-9; Cuminaldehyde, >=98%, FCC, FG; 4-07-00-00723 (Beilstein Handbook Reference); 4(isopropyl)benzaldehyde; DTXSID9021974; CTK0H6531; SCHEMBL87226; KSC176K3D; BRN 0636547; AN-13943; Cumin aldehyde; 122-03-2; P-isopropyl benzaldehyde; MFCD00006953; BDBM50139366; AKOS000119738; p-Isopropylbenzaldehyde, f; AK-44502; p-Isopropylbenzenecarboxaldehyde; AS-12957; EINECS 204-516-9; ZINC968248; Tox21_300712; 4-propan-2-ylbenzaldehyde; cuminic aldehyde; AC1Q1P0K; ST50213395; I0168; CHEMBL161577; NSC-4886; MolPort-000-871-215; p-cumic aldehyde; NCGC00248148-01; 4-iPr-Benzaldehyde; 4-isopropyl benzaldehyde; ACMC-1BVEJ; Cuminaldehyde, 98%; p-(1-methylethyl)benzaldehyde; NSC4886; 4-Isopropyl-benzaldehyde; AJ-24583; Cuminyl aldehyde; 4-isopropylbenzaldehyde; 4-(Methylethyl)benzaldehyde; FT-0624115; MCULE-4415970320; DSSTox_CID_1974; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; Cuminaldehyde, analytical standard; RTR-030618; AC1Q1ONB; F2190-0632; UNII-O0893NC35F; WLN: VHR DY1 & 1; 4-(isopropyl)benzaldehyde; cuminaldehyde; bmse000508; (4-isopropyl-phenyl)-methanone; RP21225; Cuminadlehyde; 4-(Propan-2-Yl)Benzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; ST2418438; WTWBUQJHJGUZCY-UHFFFAOYSA-N; AC-2430; p-iso-Propylbenzaldehyde; Benzaldehyde, p-isopropyl-; 4-Isopropylbenzenecarboxylate; cuminal; NCGC00257518-01; SBB040237; 4-Isopropylphenylcarboxaldehyde; NSC 4886; p-Cuminic aldehyde; KB-39398; AI3-01853; AC1L18ZP; O0893NC35F; Cuminaldehyd; ANW-17932; DSSTox_RID_76435; Cuminal p-(1-methylethyl)benzaldehyde; DB-041645; CHEBI:28671; 4isopropylbenzaldehyde; CJ-04641 | C10H12O | 148.2 g/mol | CC(C)C1=CC=C(C=C1)C=O |
| TCMBANKIN059190 | β-terpineol | beta-terpineol; β- terpineol; Z-beta-terpineol; β-Terpineol; cis-beta-Terpineol; cis-belta-Terpineol; 1-Terpineol;1-terpineol | C10H18O | 154.25 | CC(C)C1=CCC(CC1)(C)O |
| TCMBANKIN059290 | 19-(r)-hydroxydihydrogelsemine | 19-(r)-hydroxydihydrokoymine | C20H24N2O3 | 340.4 g/mol | CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6NC4=O)C)O |
| TCMBANKIN059449 | Izosafrol | C10H10O2 | 162.19 | CC=CC1=CC2=C(C=C1)OCO2 | |
| TCMBANKIN059521 | B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene | C10H16 | 136.23 g/mol | CC1(C2CCC(=C)C1C2)C | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059551 | 2H-3,9a-Methano-1-benzoxepin-9-methanol, octahydro-2,2,5a-trimethyl-, (3R-(3alpha,5aalpha,9alpha,9aalpha))- | C15H26O2 | 238.37 | CC1(C2CCC3(CCCC(C3(C2)O1)CO)C)C | |
| TCMBANKIN059660 | Neoandrograph | C26H40O8 | 480.6 g/mol | CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O | |
| TCMBANKIN059811 | guaiazulene | C15H18 | 198.3 g/mol | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C | |
| TCMBANKIN059825 | (?)-(1r*,5s*,6r*,7s*,10s*)-myli-4(15)-ene | C15H22 | CC1=C2CCC(=C)C2C3C(C3(C)C)CC1 | ||
| TCMBANKIN059827 | phenol,2,6-bis(1,1-dimethylethyl)-4-methyl | C15H24O | 220.35 g/mol | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C | |
| TCMBANKIN059837 | methyl thymyl ether | C11H16O | 164.24 g/mol | CC1=CC(=C(C=C1)C(C)C)OC | |
| TCMBANKIN059856 | 3,4,5-Hemimellitenol | C9H12O | 136.19 | CC1=CC(=CC(=C1C)C)O | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059928 | emodin | C15H10O5 | 270.24 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O | |
| TCMBANKIN059929 | physcion | C16H12O5 | 284.26 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC | |
| TCMBANKIN059932 | chrysophanol | C15H10O4 | 254.24 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| TCMBANKIN060033 | (+)-selina-3,11-dien-9-ol | C15H24O | 220.35 g/mol | CC1=CCCC2(C1CC(CC2O)C(=C)C)C | |
| TCMBANKIN060036 | neolinderalactone | C15H16O3 | 244.29 | CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O | |
| TCMBANKIN060079 | 14-deoxy-11-oxoandrographolide | C20H28O5 | 348.4 g/mol | CC12CCC(C(C1CCC(=C)C2C(=O)CC3=CC(=O)OC3)(C)CO)O | |
| TCMBANKIN060080 | isoandrographolide;12-dideoxyhydro-andrographolide;andrographolide | C20H30O5 | 350.45 | CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O | |
| TCMBANKIN060081 | ninandrographolide | C26H40O9 | 496.6 g/mol | CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)COC4C(C(C(C(O4)CO)O)O)O)O | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060433 | gmelofuran;gmeloiuran | C15H18O3 | 246.3 g/mol | CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C | |
| TCMBANKIN060464 | epoxyguaine | C15H24O | CC1CCC(CC23C1(O2)CCC3C)C(=C)C | ||
| TCMBANKIN060470 | jinkoheremol;kusunol | C15H26O | 222.37 g/mol | CC1CCC=C2C1(CC(CC2)C(C)(C)O)C | |
| TCMBANKIN060562 | (-)-guaia-1(10),11-dien-16-carboxylic acid | C15H22O2 | CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)O | ||
| TCMBANKIN060563 | (-)-Guaia-1(10),11-dien-15-al | C15H22O | 218.33 g/mol | CC1CCC2=C(CCC(CC12)C(=C)C)C=O | |
| TCMBANKIN060564 | (-)-guaia-1(11),11-dien-15-al | CC1CCC2=C(CCC(CC12)C(=C)C)CO | |||
| TCMBANKIN060566 | β-patchoulene | C15H24 | 204.35 | CC1CCC2=C1CC3CCC2(C3(C)C)C | |
| TCMBANKIN060570 | (-)-1,10-epoxy-guaia-11-ene | C15H24O | CC1CCC23C1CC(CCC2(O3)C)C(=C)C | ||
| TCMBANKIN060593 | ()-Aromadendrene;(+)-aromadendrene | C15H24 | 204.35 | CC1CCC2C1C3C(C3(C)C)CCC2=C | |
| TCMBANKIN060602 | Dihydro-β-agarofuran | C15H26O | 222.37 | CC1CCCC2(C13CC(CC2)C(O3)(C)C)C | |
| TCMBANKIN060604 | aristolene;9-aristolene | C15H24 | 204.35 | CC1CCCC2=CCC3C(C12C)C3(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060738 | 1,4-dimethyl-7-ethylazulene | C14H16 | 184.28 g/mol | CCC1=CC2=C(C=CC2=C(C=C1)C)C | |
| TCMBANKIN060749 | Deoxycamptothecine | C20H16N2O3 | 332.38 g/mol | CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2 | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060937 | linderic acid | C12H22O2 | 198.3 g/mol | CCCCCCCC=CCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060961 | alpha-monoolein | C21H40O4 | 356.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O | |
| TCMBANKIN060980 | caproic acid;capric acid;n-decanoic acid;NON | C10H20O2 | 172.26 g/mol | CCCCCCCCCC(=O)O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061146 | TETRACONTANE | C40H82 | 563.08 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061161 | eicosanol;n-eicosanol | C20H42O | 298.55 | CCCCCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061219 | BUCB | C8H18O3 | 162.23 g/mol | CCCCOCCOCCO | |
| TCMBANKIN061324 | d-reticuline | (S)-(+)-reticuline; (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; CHEBI:16718; 485-19-8; (1S)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (+)-Reticuline; (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C02105;CHEBI:17428; AC1L99KR; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; AK552295; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; C05178; FT-0699770; MFCD28556897; ZINC901258; DTXSID80331501; L-Reticuline; CHEMBL401501; AKOS030242061; (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-Reticuline; (-)-reticuline; SCHEMBL9587509; NCGC00247617-01; 3968-19-2; (R)-Reticuline (>80% ee); CTK1C2641; (S)-Reticuline;reticuline;reticulin | C19H23NO4 | 329.4 g/mol | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
| TCMBANKIN061352 | longatin | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; NSC121869; SMR000059119; (S,R)-Noscapine; C09592; STK054401; BSPBio_000346; 128-62-1; AIDS011873; (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one; Lopac0_000840; Tocris-1697; Noscapine (TN); alpha-Narcotine; .beta.-Narcotine; alpha-narcotine; EINECS 204-899-2; Noscapine [BAN:INN:JAN]; Coscopin (VAN); L-alpha-Narcotine; 4-27-00-06838 (Beilstein Handbook Reference); 1368-39-4; Lopac-N-9007; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl),(S-(R*,S*))-; L-alpha-Noscapine; CAS-128-62-1; BRN 0099933; BSPBio_002113; SDCCGMLS-0066644.P001; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-,(S-(R*,S*))-; HSDB 3372; KBio2_004117; TNP00110; SPBio_001053; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; NCGC00017174-02; 567-86-2; KBio2_006685; Spectrum5_001276; (-)-alpha-Norcotine; NCGC00017174-01; KBioGR_000872; Spectrum2_000987; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; Noscapinum [INN-Latin]; NCGC00015757-01; Spectrum_001069; KBio3_001613; ST055757; (-)-Narcotine; Spectrum3_000527; 8-Methoxyhydrastin; 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline; L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline; TNP00034; KBio2_001549; Spectrum4_000456; Longactin; 8057-19-0; Noscapina [INN-Spanish]; KBioSS_001549; (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid; NCGC00016388-01; Narcotine (8CI); 8055-18-3; NCGC00023230-02; AIDS-011873; D01036; CBMicro_048259; SPBio_002565; BIM-0048054.P001; NCI60_004322; Prestwick1_000563; Prestwick3_000563; (-)-.alpha.-Narcotine; Prestwick_959; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; MLS000069475; 363960_ALDRICH; BPBio1_000382; Coscopin; Methoxyhydrastine; Prestwick0_000563; Prestwick2_000563; Noscapine (JP15/USP/INN); AC1NSW29; 5-[(1S)-4,5-dimethoxy-3-methylidene-1H-2-benzofuran-1-yl]-4-methoxy-6,9-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline; narcotine; Noscapine; gnoscopine; Noskapin; α-narcotine | C22H23NO7 | 413.42 g/mol | CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
| TCMBANKIN061458 | 2,6-dimethoxyphenol | 2,6-dimethoxy-phenol;Aldrich;FEMA No. 3137; ZINC00154666; 1,3-Di-o-methylpyrogallol; 38772_FLUKA; 1,3-Dimethoxy-2-hydroxybenzene; 2,6-Dwumetoksyfenol [Polish]; Phenol, 2,6-dimethoxy-; C10787; D135550_ALDRICH; W313726_ALDRICH; CHEBI:955; Pyrogallol 1,3-dimethyl ether; Syringol; EINECS 202-041-1; 91-10-1; W313718_ALDRICH; Pyrogallol dimethylether; 2-Hydroxy-1,3-dimethoxybenzene; 2,6-Dimethoxyphenol; 1,3-Dimethyl pyrogallate | C8H10O3 | 154.16 g/mol | COC1=C(C(=CC=C1)OC)O |
| TCMBANKIN061538 | (5s,6s,7r,8s)-2-(2-phenylethyl)-5,6,7-trihy-droxy-5,6,7,8-tetrahydro-8-[2-(2-phenyl-ethyl)-7-methoxychromonyl-6-oxy]chromone(ah12) | (5s,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)-7-methoxychromonyl-6-oxy]chromone (ah12) | COC1=C(C=C2C(=C1)OC(=CC2=O)CCC3=CC=CC=C3)OC4C(C(C(C5=C4OC(=CC5=O)CCC6=CC=CC=C6)O)O)O | ||
| TCMBANKIN061552 | Isoscopoletin;6-Hydroxy-7-methoxy-2H-chromen-2-one;6-hydroxy-7-methoxy coumarin;6-hydroxy-7-methylcoumarin | 6-Hydroxy-7-methoxy-2-benzopyrone; isoscopoletin ; 6-hydroxy-7-methoxychromen-2-one; Esculetin 7-methyl ether; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-; 776-86-3; 6-hydroxy-7-methoxy-chromen-2-one; 7-Methyl esculetin; ST5331501; isoscopoletin; 6-hydroxy-7-methoxy-coumarin; NCGC00163577-01; AIDS026314; 6-Hydroxy-7-methoxycoumarin; 17795_FLUKA; AIDS-026314; EINECS 212-282-4; 7-Methoxyesculetin; 6-hydroxy-7-methoxy-2-chromenone | C10H8O4 | 192.17g/mol | COC1=C(C=C2C=CC(=O)OC2=C1)O |
| TCMBANKIN061558 | laurolitsine | (+)-Norboldine; CHEMBL487388; AC1L2JVN; 568-39-8; LS-97013; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine; Laurolistine; [(+)-norboldine]; MFCD06809897; UNII-5MT88IS14F; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; 890L186; (S)-1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; API0008028; Norboldine; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-; DTXSID30207641; C16984; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Laurolitsine; 5890-18-6; 5MT88IS14F; D09GXL; BDBM50292446; (9S)-4,16-DIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAENE-5,15-DIOL; CHEBI:66557; ZINC2559362; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; Norboldine; 1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; AIDS161652; 4H-dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-; AIDS-161652; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Laurolitsine; 5890-18-6; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; norboldine; InChI=1/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H; 568-39-8 | C18H19NO4 | 313.3 g/mol | COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O |
| TCMBANKIN061651 | skullcapflavone i | 5,2'-Dihydroxy-7,8-dimethoxyflavone; Ambap41060-16-6; ZINC2392262; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-; MolPort-035-706-534; SKULLCAPFLAVONEI; 2',5-Dihydroxy-7,8-dimethoxyflavone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxychromen-4-one; 41060-16-6; W2788; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromen-4-one; LMPK12111304; AKOS032961992; Skullcapflavone I; panicolin; 8P86A8Q1G0; Skullcapflavone I, analytical standard; AC1NSZFT; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4-chromenone; UNII-8P86A8Q1G0; SCHEMBL6069761;Panicolin | C17H14O6 | 314.29 g/mol | COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)OC |
| TCMBANKIN061652 | Andrographin F | 2-(4-hydroxy-2,3-dimethoxy-phenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 2-(4-hydroxy-2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 2-(4-hydroxy-2,3-dimethoxy-phenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(4-hydroxy-2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; andrographin f; AC1NSWXZ; 2-(4-hydroxy-2,3-dimethoxy-phenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one | 536.53 | COC1=C(C2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=C(C(=C(C=C4)O)OC)OC)OC | |
| TCMBANKIN061666 | oroxylin | 5,7-dihydroxy-6-methoxy-2-phenyl-4H-chromen-4-one; CTK1D7949; ZINC5998558; Oroxylin A; CHEMBL183513; 5,7-Dihydroxy-6-methoxy-2-phenyl-chromen-4-one; SC-69298; NP-005013; HY-N0560; MolPort-019-937-219; 5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one; AKOS015903364; Oroxylin-A; MFCD02259441; UNII-53K24Z586G; 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one; 6-Methoxybaicalein;; FT-0688332; Oroxylin A, >=98% (HPLC); CHEBI:61668; 5,7-dihydroxy-6-methoxyflavone; BDBM50430091; AC1NSZBG; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-; 5,7-Dihydroxy-6-methoxyflavone;; Y0150; I14-19006; baicalein 6-methyl ether; 53K24Z586G; DTXSID70197375; Baicalein 6-methyl ether;6-Methoxybaicalein; 480-11-5; SCHEMBL431423; LMPK12111096; Oroxylin; CS-4948 | C16H12O5 | 284.26 g/mol | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O |
| TCMBANKIN061714 | 1,6-Dihydroxy-2,4-dimethoxyanthraquinone | 142878-33-9; 1,6-Ddma; 9,10-Anthracenedione, 1,6-dihydroxy-2,4-dimethoxy-; 1,6-dihydroxy-2,4-dimethoxyanthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxy-9,10-anthraquinone; 1,6-Dihydroxy-2,4-dimethoxyanthraquinone V; 1,6-dihydroxy-2,4-dimethoxy-anthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxyanthranquinone v; 1,6-dihydroxy-2,4-dimethoxyanthraquinone v | C16H12O6 | 300.26 g/mol | COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3)O)O)OC |
| TCMBANKIN061725 | 5-hydroxy-7,3',4',5'-tetramethoxyflavone | C19H18O7 | 358.3 g/mol | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O | |
| TCMBANKIN061787 | (-)-yatein | Dihydroanhydropodorhizol; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R-trans)-; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone; MolPort-035-706-087; AC1L9DHE; (-)-deoxypodorhizone; (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-,trans-(-)-; GMLDZDDTZKXJLU-JKSUJKDBSA-N; AKOS032948829; (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; ZINC1575142; (-)-yatein; Deoxypodorhizone; CHEMBL471067; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one; Yatein; DTXSID50193471; 40456-50-6; RD4-6277; BG01688458; AIDS-218539; AIDS218539; SCHEMBL1037807; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R,4R)-; D01FBL; (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; W1872; (3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; (-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone; CHEBI:4553; C22H24O7; (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; C10557; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; dihydroanhydropodorhizol; BDBM50241524; Deoxypodorhizon; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one | C22H24O7 | 400.42 g/mol | COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
| TCMBANKIN061812 | ANN | CHEBI:40813; Anisic acid, p-isomer; ANISIC ACID, PARA; 4-10-00-00346 (Beilstein Handbook Reference); EINECS 202-818-5; C02519; 10550_FLUKA; p-Anisic acid; 4-Methoxybenzoic acid; p-Methoxybenzoic acid; ST5213868; 4-Anisic acid; NCIOpen2_004706; W394505_ALDRICH; NSC32742; 84688_FLUKA; AIDS018080; 117390_ALDRICH; Benzoic acid, 4-methoxy-; 100-09-4; InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10; AI3-00893; AE-848/32075009; AIDS-018080; NSC7926; Draconic acid; EINECS 215-618-8; BRN 0508910; 1335-08-6; Kyselina 4-methoxybenzoova [Czech]; NSC 32742; ANISIC ACID;p-anisic acid;anisicacid;4-methoxy benzoic acid;4-anisate; 4-Methoxybenzoate; Methoxybenzoic acid; anisic acid; BDBM23435; 4-methyoxybenzoate ion; A800042; p-methoxybenzoate; 4-Methoxybenzoic acidanion; CHEBI:16639; p-anisate; AC1MX20M; 4-methoxybenzoate, 4; ZB010665; 16285-97-5; CJ-02856; 4-methoxy benzoic acid; p-methoxybenzoic acid | C8H8O3 | 152.15 | COC1=CC=C(C=C1)C(=O)O |
| TCMBANKIN061828 | 5-hydroxy-4',7-dimethoxy-flavone; Flavone der. | AIDS-071717; 5-Hydroxy-4',7-dimethoxy-flavone; Genkwanin 4'-methyl ether; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; NSC94547; Flavone, 5-hydroxy-4',7-dimethoxy- (8CI); 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-; Flavone, 5-hydroxy-4,7-dimethoxy-; 5-Hydroxy-4',7-dimethoxyflavone; 5128-44-9; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone; FLAVONE,5-HYDROXY-4-7-DIMETHOXY; AIDS071717; 5'-Hydroxy-7,4'-dimethoxyflavone; NSC 94547; C10019; Apigenin dimethylether; EINECS 225-867-4; 4',7-Dimethylapigenin; 5-Hydroxy-7,4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- (9CI); Apigenin 7,4'-dimethyl ether; Apigenin 4',7-dimethyl ether; Flavone, 5-hydroxy-4',7-dimethoxy-; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone | C17H14O5 | 298.29 g/mol | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
| TCMBANKIN061850 | p-methoxyhydrocinnamic acid | C10H12O3 | 180.2 g/mol | COC1=CC=C(C=C1)CCC(=O)O | |
| TCMBANKIN061851 | DPMC | 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-4H-1-benzopyran-4-one; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromone; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one; 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone; 128922-70-3; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-chromenone; 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-; 5,8-Dihydroxy-2-[2-(4'-methoxyphenyl) ethyl]chromone;5,8-dihydroxy-2-[2-(4'-methoxyphenyl)ethyl]chromone;5,8-dihydroxy-2-[2-(4'-methoxyphenyl)-ethyl]chromone | C18H16O5 | 312.32 | COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O |
| TCMBANKIN061852 | 5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah2a) | 5α,6β,7β,8α-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone | C18H20O7 | COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O | |
| TCMBANKIN061853 | 2-[2-(4'-methoxyphenyl) ethyl] chromone | 2-[2-(4'-methoxyphenyl)ethyl] chromone | COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 | ||
| TCMBANKIN061907 | 5alpha,6beta,7beta-trihydroxy-8alpha-methoxy-2-(2-phenylethyl) chromone | 5alpha,6beta,7beta-trihydroxy-8alpha-methoxy-2-(2-phenylethyl)chromone; (6R,7R)-5,6,7-trihydroxy-8-methoxy-2-phenethyl-5,6,7,8-tetrahydrochromen-4-one; AC1NT16R; 5α,6β,7β-trihydroxy-8α-methoxy-2-(2-phenyl-ethyl)-5,6,7,8-tetrahydro chromone | COC1C(C(C(C2=C1OC(=CC2=O)CCC3=CC=CC=C3)O)O)O |
植物对应的疾病
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植物对应的靶点
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