Structure database (LMSD)

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LM IDLMFA02020206
Common Name(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-β-D-glucoside
Systematic Name{(1R,2R)-2-[4-(β-D-glucopyranosyloxy)pentyl]-3-oxocyclopentyl}acetic acid
Synonyms-
Exact Mass
390.1890 (neutral)    Calculate m/z:
FormulaC18H30O9
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassJasmonic acids [FA0202]
Alternative ClassesOxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
PubChem CID11966292
CHEBI ID18471
InChIKeyQPYZJXJBZOQDGA-XGNCEZCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21
)22)5-6-12(11)20/h9-11,13,15-19,23-25H,2-8H2,1H3,(H,21,22)/t9?,10-,11-,13-,15-,1
6+,17-,18-/m1/s1
SMILESC1[C@H](CC(O)=O)[C@@H](CCCC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C)C(=O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings2Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
369.07Topological Polar
Surface Area
155.82Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
9
 logP1.43Molar
Refractivity
95.20