Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA02020012
Common Name(-)-11-hydroxy-9,10-dihydrojasmonic acid
Systematic Name[(1R,2R)-2-(4-hydroxypentyl)-3-oxocyclopentyl]acetic acid
Synonyms-
Exact Mass
228.1362 (neutral)    Calculate m/z:
FormulaC12H20O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassJasmonic acids [FA0202]
Alternative ClassesOxo fatty acids[FA0106], Hydroxy fatty acids[FA0105], Carbocyclic fatty acids[FA0114]
PubChem CID11966225
CHEBI ID38152
InChIKeyZJPORBFEYXKGKA-VXRWAFEHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H20O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h8-10,13H,2-7H2,1H3
,(H,15,16)/t8?,9-,10-/m1/s1
SMILESC1[C@H](CC(O)=O)[C@@H](CCCC(O)C)C(=O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings1Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
233.68Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP1.89Molar
Refractivity
59.52