CHEBI:70809 - pentalenolactone F

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ChEBI Name pentalenolactone F ChEBI ID CHEBI:70809 Definition A tetracyclic sesquiterpene lactone obtained by formal epoxidation of the 4-methylene group of pentalenolactone E. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H18O5 Net Charge 0 Average Mass 278.30040 Monoisotopic Mass 278.11542 InChI InChI=1S/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1 InChIKey UUDKOVSZNMZKND-BDAURDKOSA-N SMILES [H][C@@]12CC(C)(C)C[C@]11[C@@]([H])(COC(=O)[C@]11CO1)C(=C2)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing pentalenolactone F (CHEBI:70809) has role bacterial metabolite (CHEBI:76969) pentalenolactone F (CHEBI:70809) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) pentalenolactone F (CHEBI:70809) is a organic heterotricyclic compound (CHEBI:26979) pentalenolactone F (CHEBI:70809) is a sesquiterpene lactone (CHEBI:37667) pentalenolactone F (CHEBI:70809) is a spiro-epoxide (CHEBI:133131) pentalenolactone F (CHEBI:70809) is conjugate acid of pentalenolactone F(1−) (CHEBI:70789) Incoming pentalenolactone F(1−) (CHEBI:70789) is conjugate base of pentalenolactone F (CHEBI:70809) IUPAC Name (2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid Manual Xref Database CPD-13622 MetaCyc View more database links Registry Number Type Source 5382725 Reaxys Registry Number Reaxys Citations Last Modified 24 August 2016