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CHEBI:210236 - Neoenterocin A

ChEBI IDCHEBI:210236
ChEBI NameNeoenterocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESCO/C(C)=C/c1oc(C(=O)C(=O)c2ccccc2)c2c1C(=O)C[C@@H](O)C2
InChIInChI=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
InChIKeyJBIMWARAATZDME-YKWSONSWSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSIO 11863 (ncbitaxon:1333476) - PubMed (31657934)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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