CHEBI:70805 - pentalenolactone D

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ChEBI Name pentalenolactone D ChEBI ID CHEBI:70805 Definition A sesquiterpene lactone obtained by regioselective Bayer-Villiger oxidation of 1-deoxy-11-oxopentalenic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H20O4 Net Charge 0 Average Mass 264.31690 Monoisotopic Mass 264.13616 InChI InChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/t8-,9-,11+,15-/m1/s1 InChIKey MRLXXQBBRNRWDA-LIEMUPCESA-N SMILES [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)C(=O)OC[C@@]1([H])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 D (CHEBI:70805) has role bacterial metabolite (CHEBI:76969) pentalenolactone D (CHEBI:70805) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) pentalenolactone D (CHEBI:70805) is a organic heterotricyclic compound (CHEBI:26979) pentalenolactone D (CHEBI:70805) is a sesquiterpene lactone (CHEBI:37667) pentalenolactone D (CHEBI:70805) is conjugate acid of pentalenolactone D(1−) (CHEBI:70787) Incoming pentalenolactone D(1−) (CHEBI:70787) is conjugate base of pentalenolactone D (CHEBI:70805) IUPAC Name (4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid Manual Xref Database CPD-13621 MetaCyc View more database links Registry Number Type Source 5347613 Reaxys Registry Number Reaxys Citation Type Source 21250661 PubMed citation Europe PMC Last Modified 14 April 2015