Cyanidin 3-O-(6-O-para-coumaroyl)glucoside-5-O-glucoside

Properties Image MNX_ID MNXM1369264 reference chebi:29561 formula C36H37O18 global charge 1 mol weight 757.674 InChIKey YPXWWSJGANMFFQ-AQAMAIGXSA-O InChI InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 SMILES (mnx) [CH:1]1=[CH:5][C:17]([OH:38])=[CH:6][CH:2]=[C:15]1[CH:3]=[CH:8][C:27](=[O:42])[O:49][CH2:14][C@@H:26]1[C@@H:29]([OH:44])[C@H:31]([OH:46])[C@@H:33]([OH:48])[C@H:36]([O:52][C:24]2=[CH:12][C:19]3=[C:22]([CH:10]=[C:18]([OH:39])[CH:11]=[C:23]3[O:51][C@H:35]3[C@H:32]([OH:47])[C@@H:30]([OH:45])[C@H:28]([OH:43])[C@@H:25]([CH2:13][OH:37])[O:53]3)[O+:50]=[C:34]2[C:16]2=[CH:9][C:21]([O-:41])=[C:20]([OH:40])[CH:7]=[CH:4]2)[O:54]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0