cannabinerolate

Properties Image MNX_ID MNXM8367 reference chebi:66961 formula C22H31O4 global charge -1 mol weight 359.486 InChIKey SEEZIOZEUUMJME-VBKFSLOCSA-M InChI InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/p-1/b16-12- SMILES CCCCCC1=CC(O)=C(C/C=C(/C)CCC=C(C)C)C(O)=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12- SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:11][C:17]1=[CH:14][C:19]([OH:23])=[C:18]([CH2:13]/[CH:12]=[C:16](/[CH3:4])[CH2:10][CH2:8][CH:9]=[C:15]([CH3:2])[CH3:3])[C:21]([OH:24])=[C:20]1[C:22](=[O:25])[OH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0