input word = C00004195

Metabolite InformationStructural formula
Name Apigenin 7-(4'',6''-diacetylalloside)-4'-alloside
Formula C31H34O17
Mw 678.17959966
CAS RN 95690-53-2
C_ID C00004195 ,
InChIKey JBQUODZYFWCFIH-MFKGTRKGNA-N
InChICode InChI=1S/C31H34O17/c1-12(33)42-11-22-29(43-13(2)34)26(39)28(41)31(48-22)45-16-7-17(35)23-18(36)9-19(46-20(23)8-16)14-3-5-15(6-4-14)44-30-27(40)25(38)24(37)21(10-32)47-30/h3-9,21-22,24-32,35,37-41H,10-11H2,1-2H3/t21-,22+,24-,25+,26-,27-,28-,29-,30-,31-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum thunbergii Ref.
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OrganismThalictrum thunbergii
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Shimizu,Chem.Pharm.Bull,32,(1984),5023