comosusol B

Properties Image MNX_ID MNXM104004 reference chebi:67921 formula C16H22O3 global charge 0 mol weight 262.349 InChIKey LXQUYFOONKATDQ-FPLPWBNLSA-N InChI InChI=1S/C16H22O3/c1-6-15(2,3)12-10-13(17)11(9-14(12)18)7-8-16(4,5)19/h6-10,17-19H,1H2,2-5H3/b8-7- SMILES C=CC(C)(C)C1=CC(O)=C(/C=C\C(C)(C)O)C=C1O MNX internals InChI (mnx) InChI=1/C16H22O3/c1-6-15(2,3)12-10-13(17)11(9-14(12)18)7-8-16(4,5)19/h6-10,17-19H,1H2,2-5H3/b8-7- SMILES (mnx) [CH2:1]=[CH:6][C:15]([CH3:2])([CH3:3])[C:12]1=[C:14]([OH:18])[CH:9]=[C:11](/[CH:7]=[CH:8]\[C:16]([CH3:4])([CH3:5])[OH:19])[C:13]([OH:17])=[CH:10]1

Parent-child relations graph

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