input word = C00006660

Metabolite InformationStructural formula
Name Cyanidin 3-gentiobioside
Formula C27H31O16
Mw 611.16120995
CAS RN 4453-78-5
C_ID C00006660 ,
InChIKey SOSQBIZNYUDNPG-MZRMCOTFNA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1/t17-,18+,19-,20-,21+,22-,23-,24+,26-,27-/m1/s1
SMILES OCC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraceaeAnchomanes abbreviatus Ref.
PlantaeAraceaeRhektophyllum mirabile Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaePrimulaceaePrimula sinensis Ref.
PlantaeRosaceaePrunus cerasus Ref.
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OrganismDioscorea alata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Li,J.Am.Chem.Soc.,78,(1956),979

Williams,Phytochem.,20,(1981),217