(E)-endo-beta-bergamoten-12-oic acid

Properties Image MNX_ID MNXM173973 reference chebi:131506 formula C15H22O2 global charge 0 mol weight 234.339 InChIKey SAMAJCLBXKAWIT-KFCMCJRJSA-N InChI InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5,12-13H,1,4,6-9H2,2-3H3,(H,16,17)/b11-5+/t12-,13-,15-/m0/s1 SMILES C=C1CC[C@H]2C[C@@H]1[C@@]2(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/h5,12-13H,1,4,6-9H2,2-3H3,(H,16,17)/b11-5+/t12-,13-,15-/m0/s1 SMILES (mnx) [CH2:1]=[C:10]1[CH2:6][CH2:7][C@H:12]2[CH2:9][C@@H: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