**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

cyanidin 3,7-di-O-beta-D-glucoside

Properties Image MNX_ID MNXM1583744 reference chebi:71513 formula C27H30O16 global charge 0 mol weight 610.521 InChIKey ULXBEUBSYSSVTP-ZOTFFYTFSA-N InChI InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 SMILES [O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12 MNX internals InChI (mnx) InChI=1/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-30,32-38H,7-8H2/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 SMILES (mnx) [CH2:1]=[c:2]1[c:3]2[c:4]([cH:8][c:7]([CH2:9][C@@H:10]3[C@H:11]([CH3:14])[C@H:13]([CH3:17])[C@@H:16]([CH3:19])[C@@H:15]([CH2:18][CH3:20])[CH2:12]3)[cH:6]1)[CH2:5][C:23]([C:25]1=[CH:27][O:31]([OH:37])=[O:36]([OH:41])[O:32]=[O:28]1)=[C:22]([CH2:24][C@@H:26]1[O:29][O@:33]([O:39][OH:43])[O@@:38]([OH:42])[O@:34]([OH:40])[O@:30]1[OH:35])[CH:21]=2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:71513 chebi:71513 ULXBEUBSYSSVTP-ZOTFFYTFSA-N	cyanidin 3,7-di-O-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)chromenium-5-olate cyanidin 3,7-di-O-beta-D-glucoside betaine
seed.compound:cpd31119 seedM:cpd31119 VMQTXGMFZBVVQQ-ZOTFFYTFSA-N	Cyanidin 3,7-di-O-beta-D-glucoside cyanidin 3,7-di-O-beta-D-glucoside
metacyc.compound:CPD-15005 metacycM:CPD-15005 ULXBEUBSYSSVTP-ZOTFFYTFSA-N	cyanidin 3,7-di-O-beta-D-glucoside
seedM:M_cpd31119	secondary/obsolete/fantasy identifier