Hydroxychlorobactene glucoside ester

Properties Image MNX_ID MNXM11840 reference chebi:80175 formula C47H63O7* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)OC[C@H]1O[C@@H](OC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(C)=CC=C2C)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C48H66O7/c1-33(18-12-13-19-34(2)21-16-25-37(5)27-30-42-39(7)29-28-38(6)40(42)8)20-14-22-35(3)23-15-24-36(4)26-17-31-48(10,11)55-47-46(52)45(51)44(50)43(54-47)32-53-41(9)49/h12-16,18-25,27-30,43-47,50-52H,17,26,31-32H2,1-11H3/b13-12+,20-14+,21-16+,23-15+,30-27+,33-18+,34-19+,35-22+,36-24+,37-25+/t43-,44-,45+,46-,47+/m1/s1/i9+1 SMILES (mnx) [CH3:1][C:33](=[CH:18]\[CH:12]=[CH:13]\[CH:19]=[C:34]([CH3:2])\[CH:21]=[CH:16]\[CH:25]=[C:37]([CH3:5])\[CH:27]=[CH:30]\[C:42]1=[C:39]([CH3:7])[CH:29]=[CH:28][C:38]([CH3:6])=[C:40]1[CH3:8])/[CH:20]=[CH:14]/[CH:22]=[C:35]([CH3:3])/[CH:23]=[CH:15]/[CH:24]=[C:36](\[CH3:4])[CH2:26][CH2:17][CH2:31][C:48]([CH3:10])([CH3:11])[O:55][C@H:47]1[C@H:46]([OH:52])[C@@H:45]([OH:51])[C@H:44]([OH:50])[C@@H:43]([CH2:32][O:53][C:41]([13CH3:9])=[O:49])[O:54]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0