input word = C00004188

Metabolite InformationStructural formula
Name Apigenin 7-(2'',3''-diacetylglucoside)
Formula C25H24O12
Mw 516.12677623
CAS RN 84323-20-6
C_ID C00004188 ,
InChIKey RLRNEHZJFFGOEN-QJDMXBAJNA-N
InChICode InChI=1S/C25H24O12/c1-11(27)33-23-22(32)20(10-26)37-25(24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3/t20-,22+,23-,24+,25+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMatricaria chamomilla Ref.
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