Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside

Properties Image MNX_ID MNXM22582 reference lipidmapsM:LMPK12010269 formula C30H27O14 global charge 1 mol weight 611.532 InChIKey DHTPVCYNNWQRMN-SANVHKNKSA-O InChI InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26+,27+,28-,30-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC(O)=C(O)C(O)=C3)[O+]=C3C=C(O)C=C(O)C3=C2)[C@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/b6-3?/t23-,26+,27+,28-,30-/m1/s1 SMILES (mnx) [CH:1]1=[CH:4][C:15]([OH:31])=[CH:5][CH:2]=[C:13]1[CH:3]=[CH:6][C:24]([OH:36])=[O+:41][CH2:12][C@@H:23]1[C@H:26]([OH:38])[C@H:27]([OH:39])[C@@H:28]([OH:40])[C@H:30]([O:43][C:22]2=[C:29]([C:14]3=[CH:7][C:19]([OH:34])=[C:25]([O-:37])[C:20]([OH:35])=[CH:8]3)[O:42][C:21]3=[CH:10][C:16]([OH:32])=[CH:9][C:18](=[O:33])[C:17]3=[CH:11]2)[O:44]1

Parent-child relations graph

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