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CHEBI:216210 - Penicillatide B

ChEBI IDCHEBI:216210
ChEBI NamePenicillatide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O3
Net Charge0
Average Mass260.293
Monoisotopic Mass260.11609
SMILESO=C1N[C@](O)(Cc2ccccc2)C(=O)N2CCC[C@H]12
InChIInChI=1S/C14H16N2O3/c17-12-11-7-4-8-16(11)13(18)14(19,15-12)9-10-5-2-1-3-6-10/h1-3,5-6,11,19H,4,7-9H2,(H,15,17)/t11-,14+/m1/s1
InChIKeyVXNIFVLSWOZUNG-RISCZKNCSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (29439550)
ChEBI Ontology
Outgoing Relation(s)
Penicillatide B (CHEBI:216210) has functional parent α-amino acid (CHEBI:33704)
Penicillatide B (CHEBI:216210) is a organonitrogen compound (CHEBI:35352)
Penicillatide B (CHEBI:216210) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aR)-3-benzyl-3-hydroxy-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione