input word = C00061475

Metabolite InformationStructural formula
Name 7-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-3-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one
Formula C30H32O18
Mw 680.15886422
CAS RN 333363-18-1
C_ID C00061475
InChIKey DAEKLIDNHCXRBS-NUWUDVHCSA-N
InChICode InChI=1S/C30H32O18/c31-8-17-23(37)25(39)27(41)29(47-17)45-12-3-1-11(2-4-12)14-9-43-16-6-13(5-15(32)21(16)22(14)36)46-30-28(42)26(40)24(38)18(48-30)10-44-20(35)7-19(33)34/h1-6,9,17-18,23-32,37-42H,7-8,10H2,(H,33,34)/t17-,18-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)coc3c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus albus Ref.
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