input word = C00006904

Metabolite InformationStructural formula
Name Malvidin 3-(6''-p-caffeyglucoside)
Formula C32H31O15
Mw 655.16629532
CAS RN 129016-23-5,68795-36-8
C_ID C00006904 ,
InChIKey LIEHUFTYLLDHTI-RQJPEPKNNA-O
InChICode InChI=1S/C32H30O15/c1-42-22-8-15(9-23(43-2)27(22)38)31-24(12-17-19(35)10-16(33)11-21(17)45-31)46-32-30(41)29(40)28(39)25(47-32)13-44-26(37)6-4-14-3-5-18(34)20(36)7-14/h3-12,25,28-30,32,39-41H,13H2,1-2H3,(H4-,33,34,35,36,37,38)/p+1/t25-,28-,29+,30-,32-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeOrobanche minor Ref.
PlantaeVitaceaeVitis cinerea Ref.
PlantaeVitaceaeVitis vinifera Ref.
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