input word = C00006737

Metabolite InformationStructural formula
Name Malvidin 3-diglucoside
Formula C29H35O17
Mw 655.1874247
CAS RN 67286-40-2
C_ID C00006737 ,
InChIKey OHMJOPXOJGZQLD-YDSNBMPDNA-O
InChICode InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)34)26-17(7-12-13(33)5-11(32)6-14(12)42-26)43-29-27(24(38)22(36)19(9-31)45-29)46-28-25(39)23(37)21(35)18(8-30)44-28/h3-7,18-19,21-25,27-31,35-39H,8-9H2,1-2H3,(H2-,32,33,34)/p+1/t18-,19-,21-,22-,23+,24+,25-,27-,28+,29-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeBauhinia variegata Ref.
PlantaeFabaceaeCercis chinensis Ref.
PlantaeSolanaceaeCyphomandra betaceae Sendt. Ref.
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OrganismCercis chinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Ishikura,Bot.Mag.Tokyo,91,(1978),25

Bobbio,Food.Chem.,12,(1983),189