(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one

Properties Image MNX_ID MNXM1129503 reference chebi:176238 formula C40H56O5 global charge 0 mol weight 616.883 InChIKey LQWRMACTPVETIT-KQICQZIZSA-N InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-23,32-33,41-42,45H,24-27H2,1-10H3/b15-11+,16-12+,18-13+,28-17+,29-19+,30-21-,31-20+,35-22? SMILES CC(=C/C=C1C(C)(C)CC(O)CC1(C)O)/C=C/C=C(C)/C=C/C=C/C(C)=C/[CH+]/C=C(C)/C([O-])=C/C(=O)C1(C)CC(O)CC1(C)C MNX internals InChI (mnx) InChI=1/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-23,32-33,41-42,45H,24-27H2,1-10H3/b15-11+,16-12+,18-13+,28-17+,29-19+,30-21-,31-20+,35-22-/t32?,33?,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:34](=[CH:23]/[C:36]([C:39]1([CH3:9])[CH2:26][CH:33]([OH:42])[CH2:25][C:38]1([CH3:7])[CH3:8])=[O:44])[O-:43])=[CH:17]\[CH:13]=[CH:18]\[C:30]([CH3:3])=[CH:21]/[CH:22]=[C:35]1/[C:37]([CH3:5])([CH3:6])[CH2:24][CH:32]([OH:41])[CH2:27][C:40]1([CH3:10])[OH:45]

Parent-child relations graph

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