Cyanidin 3-lathyroside

Properties Image MNX_ID MNXM507273 reference chebi:187411 formula C26H29O15 global charge 1 mol weight 581.503 InChIKey ZPPQIOUITZSYAO-HVHHODJLSA-O InChI InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1 SMILES OCC1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O MNX internals InChI (mnx) InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:12]([OH:29])=[C:14]([O-:31])[CH:3]=[C:9]1[C:23]1=[O+:38][C:16]2=[CH:5][C:10]([OH:28])=[CH:4][C:13]([OH:30])=[C:11]2[CH:6]=[C:17]1[O:39][C@H:26]1[CH:24]([O:41][C@H:25]2[C@H:22]([OH:36])[CH:19]([OH:33])[C@H:15]([OH:32])[CH2:8][O:37]2)[CH:21]([OH:35])[C@@H:20]([OH:34])[CH:18]([CH2:7][OH:27])[O:40]1

Parent-child relations graph

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