Cladosporacid A

Properties Image MNX_ID MNXM1130381 reference chebi:207758 formula C12H22O4 global charge 0 mol weight 230.304 InChIKey BAFMYYVGHUWMQJ-WEVVVXLNSA-N InChI InChI=1S/C12H22O4/c1-10(13)6-3-2-4-7-11(14)8-5-9-12(15)16/h5,9-11,13-14H,2-4,6-8H2,1H3,(H,15,16)/b9-5+ SMILES CC(O)CCCCCC(O)C/C=C/C(=O)O MNX internals InChI (mnx) InChI=1/C12H22O4/c1-10(13)6-3-2-4-7-11(14)8-5-9-12(15)16/h5,9-11,13-14H,2-4,6-8H2,1H3,(H,15,16)/b9-5+/t10?,11? SMILES (mnx) [CH3:1][CH:10]([CH2:6][CH2:3][CH2:2][CH2:4][CH2:7][CH:11]([CH2:8]/[CH:5]=[CH:9]/[C:12](=[O:15])[OH:16])[OH:14])[OH:13]

Parent-child relations graph

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