5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal

Properties Image MNX_ID MNXM118116 reference chebi:169828 formula C30H40O3 global charge 0 mol weight 448.647 InChIKey DFTUPAXJLNIGJB-UUVOACAKSA-N InChI InChI=1S/C30H40O3/c1-22(14-10-16-24(3)21-31)12-8-9-13-23(2)15-11-17-25(4)27-18-28-29(5,6)19-26(32)20-30(28,7)33-27/h8-18,21,26-27,32H,19-20H2,1-7H3/b9-8+,14-10+,15-11+,22-12+,23-13+,24-16-,25-17- SMILES C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C1C=C2C(C)(C)CC(O)CC2(C)O1 MNX internals InChI (mnx) InChI=1/C30H40O3/c1-22(14-10-16-24(3)21-31)12-8-9-13-23(2)15-11-17-25(4)27-18-28-29(5,6)19-26(32)20-30(28,7)33-27/h8-18,21,26-27,32H,19-20H2,1-7H3/b9-8+,14-10+,15-11+,22-12+,23-13+,24-16-,25-17-/t26?,27?,30? SMILES (mnx) [CH3:1][C:22](=[CH:12]\[CH:8]=[CH:9]\[CH:13]=[C:23]([CH3:2])\[CH:15]=[CH:11]\[CH:17]=[C:25](\[CH3:4])[CH:27]1[CH:18]=[C:28]2[C:29]([CH3:5])([CH3:6])[CH2:19][CH:26]([OH:32])[CH2:20][C:30]2([CH3:7])[O:33]1)/[CH:14]=[CH:10]/[CH:16]=[C:24](/[CH3:3])[CH:21]=[O:31]

Parent-child relations graph

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