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CHEBI:157710 - 3alpha,4alpha-epoxy-5beta-pipermethystine

ChEBI IDCHEBI:157710
ChEBI Name3alpha,4alpha-epoxy-5beta-pipermethystine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO5
Net Charge0
Average Mass303.314
Monoisotopic Mass303.11067
SMILESCC(=O)O[C@H]1CN(C(=O)CCc2ccccc2)C(=O)[C@@H]2O[C@H]12
InChIInChI=1S/C16H17NO5/c1-10(18)21-12-9-17(16(20)15-14(12)22-15)13(19)8-7-11-5-3-2-4-6-11/h2-6,12,14-15H,7-9H2,1H3/t12-,14+,15+/m0/s1
InChIKeyJPFGTGLKWYCHLM-NWANDNLSSA-N
Species of MetaboliteComponentSourceComments
Piper methysticum (ncbitaxon:130404)
crown root (PO:0000043) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
stem (BTO:0001300) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
lateral root (BTO:0005441) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
ChEBI Ontology
Outgoing Relation(s)
3alpha,4alpha-epoxy-5beta-pipermethystine (CHEBI:157710) is a N-acylpiperidine (CHEBI:48591)
IUPAC Name 
[(1R,5S,6R)-2-oxo-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-yl] acetate
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