CHEBI:70805 - pentalenolactone D

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ChEBI Name pentalenolactone D
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
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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
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.
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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)
(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
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Registry Number Type Source
5347613 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21250661 PubMed citation Europe PMC
Last Modified
14 April 2015