CHEBI:89741 - Methyl dihydrojasmonate

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ChEBI Name Methyl dihydrojasmonate ChEBI ID CHEBI:89741 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C13H22O3 Net Charge 0 Average Mass 226.312 Monoisotopic Mass 226.15689 InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1 InChIKey KVWWIYGFBYDJQC-GHMZBOCLSA-N SMILES C(C(=O)OC)[C@@H]1[C@H](C(CC1)=O)CCCCC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing Methyl dihydrojasmonate (CHEBI:89741) has functional parent jasmonic acid (CHEBI:18292) Methyl dihydrojasmonate (CHEBI:89741) is a Jasmonate derivatives (CHEBI:167055) Synonyms Sources (-)-methyl dihydrojasmonate HMDB (1R,2R)-Methyl dihydrojasmonate HMDB Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester HMDB Dihydrojasmonic acid methyl ester HMDB FEMA 3408 HMDB Hedione HMDB Kharismal HMDB Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate HMDB Methyl (2-pentyl-3-oxocyclopentyl)acetate HMDB Methyl (3-oxo-2-pentylcyclopentyl)acetate HMDB methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate HMDB Methyl 3-oxo-2-pentylcyclopentaneacetate HMDB Methyl hydrojasmonate HMDB Methyl trans-dihydrojasmonate HMDB Trans-(-)-hedione HMDB Manual Xrefs Databases HMDB0031740 HMDB Methyl_dihydrojasmonate Wikipedia View more database links Registry Number Type Source 24851-98-7 CAS Registry Number KEGG COMPOUND Citation Type Source 20809147 PubMed citation Europe PMC Last Modified 24 February 2022