input word = C00061474

Metabolite InformationStructural formula
Name 3-[4-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]phenyl]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C30H32O18
Mw 680.15886422
CAS RN 333363-17-0
C_ID C00061474
InChIKey BVZXZOQFJNLSOP-NUWUDVHCSA-N
InChICode InChI=1S/C30H32O18/c31-8-17-23(37)25(39)27(41)30(47-17)46-13-5-15(32)21-16(6-13)43-9-14(22(21)36)11-1-3-12(4-2-11)45-29-28(42)26(40)24(38)18(48-29)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(Oc2ccc(-c3coc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)cc2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus albus Ref.
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