(6S,6'S)-epsilon,epsilon-Carotene-3,3'-dione

Properties Image MNX_ID MNXM115202 reference hmdb:HMDB0040970 formula C40H52O2 global charge 0 mol weight 564.854 InChIKey IMFOMPZKWQBDLQ-DLYKBUTRSA-N InChI InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15-,30-16+,31-19+,32-20- SMILES CC1=CC(=O)CC(C)(C)C1/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C1C(C)=CC(=O)CC1(C)C MNX internals InChI (mnx) InChI=1/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,37-38H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15-,30-16+,31-19+,32-20-/t37?,38? SMILES (mnx) [CH3:1][C:29](=[CH:15]/[CH:11]=[CH:12]/[CH:16]=[C:30]([CH3:2])/[CH:18]=[CH:14]/[CH:20]=[C:32]([CH3:4])\[CH:22]=[CH:24]\[CH:38]1[C:34]([CH3:6])=[CH:26][C:36](=[O:42])[CH2:28][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])/[CH:21]=[CH:23]\[CH:37]1[C:33]([CH3:5])=[CH:25][C:35](=[O:41])[CH2:27][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

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