CHEBI:69300 - Paecilocin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Paecilocin A
ChEBI ID CHEBI:69300
Definition A natural product found in Paecilomyces variotii.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H22O3
Net Charge 0
Average Mass 262.34410
Monoisotopic Mass 262.15689
InChI InChI=1S/C16H22O3/c1-2-3-4-5-6-7-11-14-12-9-8-10-13(17)15(12)16(18)19-14/h8-10,14,17H,2-7,11H2,1H3/t14-/m0/s1
InChIKey SUNBNRKGEMWQKP-AWEZNQCLSA-N
SMILES CCCCCCCC[C@@H]1OC(=O)c2c(O)cccc12
Metabolite of Species Details
Paecilomyces var.otii (NCBI:txid45996) Found in mycelium (BTO:0001436). EtOAc extract of culture medium and mycelium,fungus isolated from inner tissue of Nemopilema nomurai See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Paecilocin A (CHEBI:69300) has role metabolite (CHEBI:25212)
Paecilocin A (CHEBI:69300) is a isobenzofuranone (CHEBI:55372)
Synonyms Sources
(3S)-7-Hydroxy-3-octyl-2-benzofuran-1(3H)-one ChEBI
(S)-7-hydroxy-3-octylphthalide ChEBI
Citation Waiting for Citations Type Source
21744790 PubMed citation Europe PMC
Last Modified
20 August 2018
General Comment
2014-10-17 Suggested Classification: ISA:hydroxybenzoic acid(CHEBI:24676); ISA:phenols(CHEBI:33853); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:lactone(CHEBI:25000); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);