5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside)

Properties Image Occurences in reactions MNX_ID MNXM25489 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C27H23O16 charge 1 mass 603.09806 reference lipidmapsM:LMPK12010433 InChIKey QYGZGEVHEDPHDA-BDBZDMETSA-O InChI InChI=1S/C27H22O16/c28-10-4-14-20-11(6-16(40-14)26(37)38)25(24(41-15(20)5-10)9-1-2-12(29)13(30)3-9)43-27-23(36)22(35)21(34)17(42-27)8-39-19(33)7-18(31)32/h1-6,17,21-23,27,34-36H,7-8H2,(H4-,28,29,30,31,32,37,38)/p+1/t17-,21-,22?,23?,27+/m1/s1 SMILES O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)[o+]c3cc(O)cc4c3c2C=C(C(=O)O)O4)C(O)C(O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph