Delphinidin 3-(3''-p-coumaroylglucoside)

Properties Image MNX_ID MNXM124274 reference chebi:168917 formula C30H27O14 global charge 1 mol weight 611.532 InChIKey NZVJDUGETACNKD-XMIMKILASA-O InChI InChI=1S/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/p+1/t23-,26-,27-,29+,30-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O MNX internals InChI (mnx) InChI=1/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/b6-3?/t23-,26-,27-,29+,30-/m1/s1 SMILES (mnx) [CH:1]1=[CH:4][C:15]([OH:32])=[CH:5][CH:2]=[C:13]1[CH:3]=[CH:6][C:24]([OH:37])=[O+:44][C@H:29]1[C@H:26]([OH:39])[C@@H:23]([CH2:12][OH:31])[O:43][C@@H:30]([O:42][C:22]2=[C:28]([C:14]3=[CH:7][C:19]([OH:35])=[C:25]([O-:38])[C:20]([OH:36])=[CH:8]3)[O:41][C:21]3=[CH:10][C:16]([OH:33])=[CH:9][C:18](=[O:34])[C:17]3=[CH:11]2)[C@@H:27]1[OH:40]

Parent-child relations graph

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