an 11-hydroxyjasmonate

Properties Image MNX_ID MNXM9669 reference chebi:136812 formula C12H17O4 global charge -1 mol weight 225.264 InChIKey KLPBEXRQJBKPDM-IHWYPQMZSA-M InChI InChI=1S/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/p-1/b3-2- SMILES CC(O)/C=C\CC1C(=O)CCC1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/b3-2-/t8?,9?,10? SMILES (mnx) [CH3:1][CH:8](/[CH:3]=[CH:2]\[CH2:4][CH:10]1[CH:9]([CH2:7][C:12](=[O:15])[OH:16])[CH2:5][CH2:6][C:11]1=[O:14])[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0