input word = C00006811

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-malonyl-2''-glucuronosylglucoside)
Formula C30H31O20
Mw 711.14086843
CAS RN
C_ID C00006811 ,
InChIKey QOHDMYMGZLODBT-UQSPSSOZNA-O
InChICode InChI=1S/C30H30O20/c31-10-4-13(33)11-6-16(25(46-15(11)5-10)9-1-2-12(32)14(34)3-9)47-30-27(50-29-24(42)21(39)23(41)26(49-29)28(43)44)22(40)20(38)17(48-30)8-45-19(37)7-18(35)36/h1-6,17,20-24,26-27,29-30,38-42H,7-8H2,(H5-,31,32,33,34,35,36,43,44)/p+1/t17-,20-,21+,22+,23+,24-,26+,27-,29+,30-/m1/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC(C(=O)O)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBellis perennis Ref.
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