(2R,2'R,3S,3'S)-2,2',3,3'-Tetrahydroxy-beta,beta-carotene-4,4'-dione

Properties Image MNX_ID MNXM147704 reference chebi:177675 formula C40H52O6 global charge 0 mol weight 628.85 InChIKey YKKUKLUVLWQEBJ-RWLMSABTSA-N InChI InChI=1S/C40H52O6/c1-25(17-13-19-27(3)21-23-31-29(5)33(41)35(43)37(45)39(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(42)36(44)38(46)40(32,9)10/h11-24,35-38,43-46H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+/t35-,36-,37+,38+/m1/s1 SMILES CC1=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(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1=O MNX internals InChI (mnx) InChI=1/C40H52O6/c1-25(17-13-19-27(3)21-23-31-29(5)33(41)35(43)37(45)39(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(42)36(44)38(46)40(32,9)10/h11-24,35-38,43-46H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+/t35-,36-,37+,38+/m1/s1 SMILES (mnx) [CH3:1][C:25](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:26]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:28]([CH3:4])\[CH:22]=[CH:24]\[C:32]1=[C:30]([CH3:6])[C:34](=[O:42])[C@@H:36]([OH:44])[C@H:38]([OH:46])[C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:27]([CH3:3])/[CH:21]=[CH:23]/[C:31]1=[C:29]([CH3:5])[C:33](=[O:41])[C@@H:35]([OH:43])[C@H:37]([OH:45])[C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

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