5,6-epoxy-3-hydroxy-12'-apo-beta-caroten-12'-al

Properties Image MNX_ID MNXM8160 reference metacycM:CPD-7197 formula C27H36O3 global charge 0 mol weight 408.582 InChIKey QZOYIQGWDBXSHB-XLGKAWHDSA-N InChI InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14- SMILES CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)/C=C/C12OC1(C)CC(O)CC2(C)C MNX internals InChI (mnx) InChI=1/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14-/t24?,26?,27? SMILES (mnx) [CH3:1][C:21](=[CH:11]\[CH:7]=[CH:8]\[CH:12]=[C:22]([CH3:2])\[CH:15]=[CH:10]\[CH:18]=[O:28])/[CH:13]=[CH:9]/[CH:14]=[C:23]([CH3:3])\[CH:16]=[CH:17]\[C:27]12[C:25]([CH3:4])([CH3:5])[CH2:19][CH:24]([OH:29])[CH2:20][C:26]1([CH3:6])[O:30]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0