5-Carboxypyranocyanidin 3-O-beta-glucopyranoside

Properties Image MNX_ID MNXM24267 reference lipidmapsM:LMPK12010432 formula C24H21O13 global charge 1 mol weight 517.419 InChIKey DTHNDBFHAFORNZ-KXJGTOPRSA-O InChI InChI=1S/C24H20O13/c25-7-16-18(29)19(30)20(31)24(36-16)37-22-10-6-15(23(32)33)34-13-4-9(26)5-14(17(10)13)35-21(22)8-1-2-11(27)12(28)3-8/h1-6,16,18-20,24-25,29-31H,7H2,(H3-,26,27,28,32,33)/p+1/t16-,18-,19+,20-,24+/m1/s1 SMILES O=C(O)C1=CC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C=C3)=[O+]C3=C2C(=CC(O)=C3)O1 MNX internals InChI (mnx) InChI=1/C24H20O13/c25-7-16-18(29)19(30)20(31)24(36-16)37-22-10-6-15(23(32)33)34-13-4-9(26)5-14(17(10)13)35-21(22)8-1-2-11(27)12(28)3-8/h1-6,16,18-20,24-25,29-31H,7H2,(H3-,26,27,28,32,33)/t16-,18-,19+,20-,24+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:11]([OH:27])=[C:12]([OH:28])[CH:3]=[C:8]1[C:21]1=[C:22]([O:37][C@H:24]2[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:18]([OH:29])[C@@H:16]([CH2:7][OH:25])[O:36]2)[C:10]2=[CH:6][C:15]([C:23]([O-:32])=[O:33])=[O+:34][C:13]3=[C:17]2[C:14](=[CH:5][C:9]([OH:26])=[CH:4]3)[O:35]1

Parent-child relations graph

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