(Z)-alpha-Bergamotenoic acid

Properties Image MNX_ID MNXM115546 reference hmdb:HMDB0036392 formula C15H22O2 global charge 0 mol weight 234.339 InChIKey CTORLPNPQPAKGI-VZUCSPMQSA-N InChI InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+ SMILES CC1=CCC2CC1C2(C)CC/C=C(\C)C(=O)O MNX internals InChI (mnx) InChI=1/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+/t12?,13?,15? SMILES (mnx) [CH3:1][C:10]1=[CH:6][CH2:7][CH:12]2[CH2:9][CH:13]1[C:15]2([CH3:3])[CH2:8][CH2:4]/[CH:5]=[C:11](\[CH3:2])[C:14](=[O:16])[OH:17]

Parent-child relations graph

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