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 c12c(cc(c([o+]1)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)/C=C/c1ccc(cc1)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna radiata Ref.
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