input word = C00006879

Metabolite InformationStructural formula
Name Delphinidin 3-caffeylglucoside
Formula C30H27O15
Mw 627.1349952
CAS RN
C_ID C00006879 ,
InChIKey CPESTIBYQUOXSA-VHDDIHCPNA-O
InChICode InChI=1S/C30H26O15/c31-14-8-17(33)15-10-22(29(43-21(15)9-14)13-6-19(35)25(38)20(36)7-13)44-30-28(41)27(40)26(39)23(45-30)11-42-24(37)4-2-12-1-3-16(32)18(34)5-12/h1-10,23,26-28,30,39-41H,11H2,(H6-,31,32,33,34,35,36,37,38)/p+1/t23-,26+,27+,28-,30+/m0/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis cinerea Ref.
PlantaeVitaceaeVitis vinifera Ref.
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