input word = C00006903

Metabolite InformationStructural formula
Name Malvidin 3-(6''-p-coumarylglucoside)
Formula C32H31O14
Mw 639.1713807
CAS RN 156577-22-9,158189-28-7
C_ID C00006903 ,
InChIKey HXQOVGDXCHFLOP-RQJPEPKNNA-O
InChICode InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1/t25-,28-,29+,30-,32-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis cinerea Ref.
PlantaeVitaceaeVitis spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismVitis vinifera
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Liao,J.Food Sci.,35,(1970),41

Gueffroy,Phytochem.,10,(1971),813