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CHEBI:199352 - Pyriferine B

ChEBI IDCHEBI:199352
ChEBI NamePyriferine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O6
Net Charge0
Average Mass338.360
Monoisotopic Mass338.14779
SMILESC=C1CCC(OC)C(=O)C1=C(O)C1(C)NC(=O)CC[C@@H](N)C(=O)O1
InChIInChI=1S/C16H22N2O6/c1-8-4-6-10(23-3)13(20)12(8)14(21)16(2)18-11(19)7-5-9(17)15(22)24-16/h9-10,21H,1,4-7,17H2,2-3H3,(H,18,19)/t9-,10?,16?/m1/s1
InChIKeyYUDSMXMSHGHVHO-PWGATLRDSA-N
Species of MetaboliteComponentSourceComments
Pseudobaeospora pyrifera (ncbitaxon:182862) - PubMed (18771319)
ChEBI Ontology
Outgoing Relation(s)
Pyriferine B (CHEBI:199352) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(7R)-7-amino-2-[hydroxy-(3-methoxy-6-methylidene-2-oxocyclohexylidene)methyl]-2-methyl-1,3-oxazocane-4,8-dione
Manual XrefsDatabases
78436491ChemSpider