Capsorubinidione

Properties Image MNX_ID MNXM120179 reference chebi:192935 formula C40H52O4 global charge 0 mol weight 596.852 InChIKey YOYRSOYUXNJBMN-SBFVYLSTSA-N InChI InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20- SMILES CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C MNX internals InChI (mnx) InChI=1/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-/t39?,40? 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]/[C:36]([C:40]1([CH3:10])[CH2:28][C:34](=[O:42])[CH2:26][C:38]1([CH3:7])[CH3:8])=[O:44])/[CH:17]=[CH:13]\[CH:19]=[C:31]([CH3:3])\[CH:21]=[CH:23]/[C:35]([C:39]1([CH3:9])[CH2:27][C:33](=[O:41])[CH2:25][C:37]1([CH3:5])[CH3:6])=[O:43]

Parent-child relations graph

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