input word = C00006664

Metabolite InformationStructural formula
Name Cyanidin 3-galactoside-5-glucoside
Formula C27H31O16
Mw 611.16120995
CAS RN 28454-88-8
C_ID C00006664 ,
InChIKey RDFLLVCQYHQOBU-GVLYQSCONA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)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+/m0/s1
SMILES OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron simsii Ref.
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