input word = C00006669

Metabolite InformationStructural formula
Name Cyanidin 3,4'-diglucoside
Formula C27H31O16
Mw 611.16120995
CAS RN 27459-78-5
C_ID C00006669 ,
InChIKey RNNDUDNKXCUQFJ-MZRMCOTFNA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(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](Oc2ccc(-c3[o+]c4cc(O)cc(O)c4cc3O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)cc2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeMalvaceaeHibiscus esculentus Ref.
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OrganismAllium cepa
ReferenceFossen,Phytochem.,64,(2003),1367