1,2-Disinapoylgentiobiose

Properties Image MNX_ID MNXM115715 reference chebi:191657 formula C34H42O19 global charge 0 mol weight 754.691 InChIKey MBGNTECDWBKCKH-HXDPBKTRSA-N InChI InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34?/m1/s1 SMILES COC1=CC(/C=C/C(=O)OC2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34?/m1/s1 SMILES (mnx) [CH3:1][O:45][C:17]1=[C:25]([OH:38])[C:18]([O:46][CH3:2])=[CH:10][C:15](/[CH:5]=[CH:7]/[C:23](=[O:36])[O:52][C@@H:32]2[C@@H:30]([OH:43])[C@H:28]([OH:41])[C@@H:22]([CH2:14][O:49][C@H:33]3[C@H:31]([OH:44])[C@@H:29]([OH:42])[C@H:27]([OH:40])[C@@H:21]([CH2:13][OH:35])[O:50]3)[O:51][CH:34]2[O:53][C:24](/[CH:8]=[CH:6]/[C:16]2=[CH:11][C:19]([O:47][CH3:3])=[C:26]([OH:39])[C:20]([O:48][CH3:4])=[CH:12]2)=[O:37])=[CH:9]1

Parent-child relations graph

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