Palustric acid

Properties Image MNX_ID MNXM12583 reference chebi:29660 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey MLBYBBUZURKHAW-MISYRCLQSA-N InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 SMILES CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 MNX internals InChI (mnx) InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C:14]1=[CH:12][C:15]2=[C:16]([CH2:8][CH2:6]1)[C@@:19]1([CH3:3])[CH2:10][CH2:5][CH2:11][C@@:20]([CH3:4])([C:18](=[O:21])[OH:22])[C@@H:17]1[CH2:9][CH2:7]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0