bis(beta-D-glucosyl) crocetin

Properties Image MNX_ID MNXM4491 reference chebi:62768 formula C32H44O14 global charge 0 mol weight 652.69 InChIKey QBZWPZHDUZGTLS-IIDMIUPYSA-N InChI InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1 SMILES CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1 SMILES (mnx) [CH3:1][C:17](=[CH:9]\[CH:5]=[CH:6]\[CH:10]=[C:18]([CH3:2])\[CH:12]=[CH:8]\[CH:14]=[C:20](/[CH3:4])[C:30](=[O:42])[O:46][C@H:32]1[C@H:28]([OH:40])[C@@H:26]([OH:38])[C@H:24]([OH:36])[C@@H:22]([CH2:16][OH:34])[O:44]1)/[CH:11]=[CH:7]/[CH:13]=[C:19](\[CH3:3])[C:29](=[O:41])[O:45][C@H:31]1[C@H:27]([OH:39])[C@@H:25]([OH:37])[C@H:23]([OH:35])[C@@H:21]([CH2:15][OH:33])[O:43]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0