Cyanidin 3-(3''-malonylglucoside)

Properties Image MNX_ID MNXM23505 reference lipidmapsM:LMPK12010134 formula C24H23O14 global charge 1 mol weight 535.434 InChIKey AWPCCUSBXWEBBS-FYFHWUFJSA-O InChI InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1/t17-,20-,21-,23+,24-/m1/s1 SMILES O=C(O)CC(=O)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC(O)=C(O)C=C3)[O+]=C3C=C(O)C=C(O)C3=C2)O[C@H](CO)[C@H]1O MNX internals InChI (mnx) InChI=1/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/t17-,20-,21-,23+,24-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:12]([OH:27])=[C:14]([OH:29])[CH:3]=[C:9]1[C:22]1=[O+:35][C:15]2=[CH:5][C:10]([OH:26])=[CH:4][C:13]([OH:28])=[C:11]2[CH:6]=[C:16]1[O:36][C@H:24]1[C@H:21]([OH:34])[C@@H:23]([O:38][C:19]([CH2:7][C:18](=[O:30])[O-:31])=[O:32])[C@H:20]([OH:33])[C@@H:17]([CH2:8][OH:25])[O:37]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0