CHEBI:210236 - Neoenterocin A

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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 Neoenterocin A
ChEBI ID CHEBI:210236
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O6
Net Charge 0
Average Mass 354.358
Monoisotopic Mass 354.11034
InChI InChI=1S/C20H18O6/c1-11(25-2)8-16-17-14(9-13(21)10-15(17)22)20(26-16)19(24)18(23)12-6-4-3-5-7-12/h3-8,13,21H,9-10H2,1-2H3/b11-8+/t13-/m0/s1
InChIKey JBIMWARAATZDME-YKWSONSWSA-N
SMILES O=C1C2=C(OC(=C2C[C@@H](C1)O)C(=O)C(=O)C3=CC=CC=C3)/C=C(/OC)\C
Metabolite of Species Details
Streptomycesspecies SCSIO 11863 (NCBI:txid1333476) See: PubMed
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 Neoenterocin A (CHEBI:210236) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
1-[(6S)-6-hydroxy-3-[(E)-2-methoxyprop-1-enyl]-4-oxo-6,7-dihydro-5H-2-benzouran-1-yl]-2-phenylethane-1,2-dione