Isomasticadienonalic acid

Properties Image MNX_ID MNXM126890 reference chebi:191728 formula C30H44O4 global charge 0 mol weight 468.678 InChIKey CTZUXTNMDDRMNB-UFWORHAWSA-N InChI InChI=1S/C30H44O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24H,7,9-17H2,1-6H3,(H,33,34)/b19-8+ SMILES C/C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O MNX internals InChI (mnx) InChI=1/C30H44O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24H,7,9-17H2,1-6H3,(H,33,34)/b19-8+/t20?,21?,24?,28?,29?,30? SMILES (mnx) [CH3:1]/[C:19](=[CH:8]\[CH2:7][CH2:9][CH:20]([CH:18]=[O:31])[CH:21]1[CH2:12][CH2:16][C:30]2([CH3:6])[C:23]3=[C:22]([CH2:13][CH2:17][C:29]12[CH3:5])[C:28]1([CH3:4])[CH2:15][CH2:14][C:25](=[O:32])[C:27]([CH3:2])([CH3:3])[CH:24]1[CH2:11][CH2:10]3)[C:26](=[O:33])[OH:34]

Parent-child relations graph

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