input word = C00004194

Metabolite InformationStructural formula
Name Apigenin 7-(6''-acetylalloside)-4'-alloside
Formula C29H32O16
Mw 636.16903498
CAS RN 95690-52-1
C_ID C00004194 ,
InChIKey RVQHAYGFBOZFPZ-GNKLAMOUNA-N
InChICode InChI=1S/C29H32O16/c1-11(31)40-10-20-23(35)25(37)27(39)29(45-20)42-14-6-15(32)21-16(33)8-17(43-18(21)7-14)12-2-4-13(5-3-12)41-28-26(38)24(36)22(34)19(9-30)44-28/h2-8,19-20,22-30,32,34-39H,9-10H2,1H3/t19-,20-,22-,23-,24-,25+,26-,27-,28-,29-/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum thunbergii Ref.
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