input word = C00014765

Metabolite InformationStructural formula
Name Cyanidin 3-(6-malonylglucoside)-8-C-glucoside
Formula C30H32O19
Mw 696.15377884
CAS RN 617713-30-1
C_ID C00014765 ,
InChIKey JNSGCUIIRCPFCC-BGBFVXEBNA-N
InChICode InChI=1S/C30H32O19/c31-7-16-21(39)23(41)25(43)29(46-16)20-14(35)5-12(33)10-4-15(27(49-28(10)20)9-1-2-11(32)13(34)3-9)47-30-26(44)24(42)22(40)17(48-30)8-45-19(38)6-18(36)37/h1-5,16-17,21-26,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,37)/t16-,17-,21+,22+,23-,24-,25+,26+,29-,30+/m0/s1
SMILES O=C([O-])CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3[o+]c2-c2ccc(O)c(O)c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalochortaceaeTricyrtis formosana Ref.
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