EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210242 - Neoenterocin B

ChEBI IDCHEBI:210242
ChEBI NameNeoenterocin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILESCO/C(C)=C/c1oc(C(=O)C(=O)c2ccccc2)c2c1C(=O)[C@H](O)[C@@H](O)C2
InChIInChI=1S/C20H18O7/c1-10(26-2)8-14-15-12(9-13(21)17(23)18(15)24)20(27-14)19(25)16(22)11-6-4-3-5-7-11/h3-8,13,17,21,23H,9H2,1-2H3/b10-8+/t13-,17+/m0/s1
InChIKeyBYCKRSGGJOJCOA-RHPXVONCSA-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 B (CHEBI:210242) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
1-[(5R,6S)-5,6-dihydroxy-3-[(E)-2-methoxyprop-1-enyl]-4-oxo-6,7-dihydro-5H-2-benzouran-1-yl]-2-phenylethane-1,2-dione