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

Properties Image MNX_ID MNXM147727 reference chebi:177819 formula C40H52O5 global charge 0 mol weight 612.851 InChIKey FHWKCLRYHASIMG-JXBZEQIMSA-N InChI InChI=1S/C40H52O5/c1-26(17-13-19-28(3)21-23-32-30(5)35(42)34(41)25-39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)36(43)37(44)38(45)40(33,9)10/h11-24,34,37-38,41,44-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,37+,38-/m0/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[C@H](O)C1=O MNX internals InChI (mnx) InChI=1/C40H52O5/c1-26(17-13-19-28(3)21-23-32-30(5)35(42)34(41)25-39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)36(43)37(44)38(45)40(33,9)10/h11-24,34,37-38,41,44-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,37+,38-/m0/s1 SMILES (mnx) [CH3:1][C:26](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:27]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:29]([CH3:4])\[CH:22]=[CH:24]\[C:33]1=[C:31]([CH3:6])[C:36](=[O:43])[C@@H:37]([OH:44])[C@H:38]([OH:45])[C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:28]([CH3:3])/[CH:21]=[CH:23]/[C:32]1=[C:30]([CH3:5])[C:35](=[O:42])[C@@H:34]([OH:41])[CH2:25][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