CHEBI:202343 - Phlebiachrysoic acid A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Phlebiachrysoic acid A
ChEBI ID CHEBI:202343
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 390.476
Monoisotopic Mass 390.20424
InChI InChI=1S/C22H30O6/c1-28-19-16-18(23)21(26)17(22(19)27)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(24)25/h3,5,13,15-16,26H,2,4,6-12,14H2,1H3,(H,24,25)/b5-3-,15-13+
InChIKey DSDOWUKLOBXSHI-QQPYNVQXSA-N
SMILES O=C1C(OC)=CC(=O)C(=C1CCCCCCC/C=C\CCC/C=C/C(=O)O)O
Metabolite of Species Details
Crustodontia chrysocreas (NCBI:txid2716695) See: DOI
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 Phlebiachrysoic acid A (CHEBI:202343) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(2E,7Z)-15-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadeca-2,7-dienoic acid
Manual Xref Database
10268640 ChemSpider
View more database links