alpha,gamma-Onoceradienedione

Properties Image MNX_ID MNXM118967 reference chebi:180528 formula C30H46O2 global charge 0 mol weight 438.696 InChIKey AVJMTAKTBATOTJ-UHFFFAOYSA-N InChI InChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3 SMILES C=C1CCC2C(C)(C)C(=O)CCC2(C)C1CCC1C(C)=CCC2C(C)(C)C(=O)CCC12C MNX internals InChI (mnx) InChI=1/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3/t21?,22?,23?,24?,29?,30? SMILES (mnx) [CH2:1]=[C:19]1[CH2:9][CH2:13][CH:23]2[C:27]([CH3:3])([CH3:4])[C:25](=[O:31])[CH2:15][CH2:17][C:29]2([CH3:7])[CH:21]1[CH2:11][CH2:12][CH:22]1[C:20]([CH3:2])=[CH:10][CH2:14][CH:24]2[C:28]([CH3:5])([CH3:6])[C:26](=[O:32])[CH2:16][CH2:18][C:30]12[CH3:8]

Parent-child relations graph

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