Petunidin 3-gentiotrioside

Properties Image Occurences in reactions MNX_ID MNXM27197 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C34H43O22 charge 1 mass 803.22405 reference lipidmapsM:LMPK12010353 InChIKey KBVVCTUMEKXAJL-QWZPWYBBSA-O InChI InChI=1S/C34H42O22/c1-49-16-3-10(2-14(38)21(16)39)31-17(6-12-13(37)4-11(36)5-15(12)52-31)53-34-30(48)27(45)24(42)20(56-34)9-51-33-29(47)26(44)23(41)19(55-33)8-50-32-28(46)25(43)22(40)18(7-35)54-32/h2-6,18-20,22-30,32-35,40-48H,7-9H2,1H3,(H3-,36,37,38,39)/p+1/t18?,19?,20?,22-,23-,24-,25+,26+,27?,28?,29?,30?,32-,33-,34-/m1/s1 SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph