input word = C00014778

Metabolite InformationStructural formula
Name Cyanidin 3-glucoside-5-(6-acetylglucoside)
Formula C29H33O17
Mw 653.17177463
CAS RN 202661-54-9
C_ID C00014778 ,
InChIKey DZYZKZFTIGZUQP-LGRUBJLANA-O
InChICode InChI=1S/C29H32O17/c1-10(31)41-9-20-22(36)24(38)26(40)28(46-20)43-17-6-12(32)5-16-13(17)7-18(27(42-16)11-2-3-14(33)15(34)4-11)44-29-25(39)23(37)21(35)19(8-30)45-29/h2-7,19-26,28-30,35-40H,8-9H2,1H3,(H2-,32,33,34)/p+1/t19-,20+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium dolomiticum Ref.
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