Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside

Properties Image Occurences in reactions MNX_ID MNXM11218 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C30H31O20 charge 1 mass 711.14032 reference chebi:80479 InChIKey QOHDMYMGZLODBT-HMYIHKNWSA-O InChI 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)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph