cyanidin 3-O-rutinoside chloride

Properties Image MNX_ID MNXM154967 reference chebi:16726 formula C27H31ClO15 global charge 0 mol weight 630.983 InChIKey ADZHXBNWNZIHIX-XYGAWYNKSA-N InChI InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1 SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC(O)=C(O)C=C4)[O+]=C4C=C(O)C=C(O)C4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.[Cl-] MNX internals InChI (mnx) InChI=1/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1 SMILES (mnx) [CH3:1][C@H:9]1[C@H:19]([OH:32])[C@@H:21]([OH:34])[C@@H:23]([OH:36])[C@H:26]([O:38][CH2:8][C@@H:18]2[C@@H:20]([OH:33])[C@H:22]([OH:35])[C@@H:24]([OH:37])[C@H:27]([O:41][C:17]3=[CH:7][C:12]4=[C:14]([OH:30])[CH:5]=[C:11]([OH:28])[CH:6]=[C:16]4[O+:40]=[C:25]3[C:10]3=[CH:4][C:15]([O-:31])=[C:13]([OH:29])[CH:3]=[CH:2]3)[O:42]2)[O:39]1.[ClH:43]

Parent-child relations graph

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