Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside)

Properties Image Occurences in reactions MNX_ID MNXM24838 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H39O20 charge 1 mass 827.20292 reference lipidmapsM:LMPK12010048 InChIKey MDEOANVPTRUJEP-TWXJYNGASA-O InChI InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)/p+1/t26?,27?,31-,32?,33-,34?,35?,37-,38-,39-/m1/s1 SMILES O=C(O)CC(=O)O[C@@H]1C(CO)O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O)cc23)C(O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph