(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one

Properties Image MNX_ID MNXM115137 reference chebi:176237 formula C40H56O5 global charge 0 mol weight 616.883 InChIKey JBFAUTAUPAPLMY-UQDXBYLISA-N InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-24-40-36(5,6)26-32(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)33(41)25-35(43)38(9)23-22-34(42)37(38,7)8/h11-21,24-25,32,34,41-42,44H,22-23,26-27H2,1-10H3/b12-11+,17-13+,19-14+,24-21+,28-15+,29-16+,30-18+,31-20+,33-25- SMILES CC(/C=C/C=C(C)/C=C/C12OC(CC1(C)C)CC2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)C1(C)CCC(O)C1(C)C MNX internals InChI (mnx) InChI=1/C40H56O5/c1-28(17-13-18-30(3)21-24-40-36(5,6)26-32(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)33(41)25-35(43)38(9)23-22-34(42)37(38,7)8/h11-21,24-25,32,34,41-42,44H,22-23,26-27H2,1-10H3/b12-11+,17-13+,19-14+,24-21+,28-15+,29-16+,30-18+,31-20+,33-25-/t32?,34?,38?,39?,40? SMILES (mnx) [CH3:1][C:28](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:29]([CH3:2])\[CH:19]=[CH:14]\[CH:20]=[C:31]([CH3:4])\[C:33](=[CH:25]\[C:35]([C:38]1([CH3:9])[CH2:23][CH2:22][CH:34]([OH:42])[C:37]1([CH3:7])[CH3:8])=[O:43])[OH:41])/[CH:17]=[CH:13]/[CH:18]=[C:30]([CH3:3])/[CH:21]=[CH:24]/[C:40]12[C:36]([CH3:5])([CH3:6])[CH2:26][CH:32]([CH2:27][C:39]1([CH3:10])[OH:44])[O:45]2

Parent-child relations graph

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