(R)-Bitalin A

Properties Image MNX_ID MNXM115363 reference chebi:174109 formula C13H14O3 global charge 0 mol weight 218.252 InChIKey JRWKMIYLVXKKAN-UHFFFAOYSA-N InChI InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3 SMILES C=C(CO)C1CC2=C(C=CC(C(C)=O)=C2)O1 MNX internals InChI (mnx) InChI=1/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3/t13? SMILES (mnx) [CH2:1]=[C:8]([CH2:7][OH:14])[CH:13]1[CH2:6][C:11]2=[C:12]([CH:4]=[CH:3][C:10]([C:9]([CH3:2])=[O:15])=[CH:5]2)[O:16]1

Parent-child relations graph

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