input word = C00020411

Metabolite InformationStructural formula
Name Delphinidin 3-(3''-p-coumaroylglucoside)
Formula C30H27O14
Mw 611.14008057
CAS RN 717816-13-2
C_ID C00020411 ,
InChIKey NZVJDUGETACNKD-ADGDQDQPNA-O
InChICode InChI=1S/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/p+1/t23-,26-,27-,29+,30-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C(O)[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)OC(CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna radiata Ref.
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