input word = C00006668

Metabolite InformationStructural formula
Name Cyanidin 3,3'-diglucoside
Formula C27H31O16
Mw 611.16120995
CAS RN 64963-54-8
C_ID C00006668 ,
InChIKey MNKUMWVPHXPSLS-ARDLSURDNA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio cruentus Ref.
PlantaeBromeliaceaeAechmea weibachii leodiensis Ref.
PlantaeBromeliaceaeNidularium innocentii lineatum Ref.
--Bromeliaceae Ref.
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OrganismAechmea weibachii leodiensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Saito,Phytochem.,22,(1983),1735