CHEBI:215931 - Cylindropyrone A

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ChEBI Name Cylindropyrone A
ChEBI ID CHEBI:215931
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H24O5
Net Charge 0
Average Mass 344.407
Monoisotopic Mass 344.16237
InChI InChI=1S/C20H24O5/c1-14(10-8-6-5-7-9-11-19(21)22)12-15(2)17-13-18(24-4)16(3)20(23)25-17/h5-9,11-14H,10H2,1-4H3,(H,21,22)/b7-5+,8-6+,11-9+,15-12+/t14-/m0/s1
InChIKey KVKQQUOEVVLXNW-VIUKQFHRSA-N
SMILES O=C1OC(/C(=C/[C@H](C/C=C/C=C/C=C/C(=O)O)C)/C)=CC(=C1C)OC
Metabolite of Species Details
Cylindrocarpon (NCBI:txid13474) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Cylindropyrone A (CHEBI:215931) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(2E,4E,6E,10E)-11-(4-methoxy-5-methyl-6-oxopyran-2-yl)-9-methyldodeca-2,4,6,10-tetraenoic acid
Manual Xref Database
64853570 ChemSpider
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