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CHEBI:205202 - Paraphaeosphaeride B

ChEBI IDCHEBI:205202
ChEBI NameParaphaeosphaeride B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO4
Net Charge0
Average Mass251.282
Monoisotopic Mass251.11576
SMILESCCCCC[C@@H]1OC2=C(C(=O)N=C2)C(=O)[C@@]1(C)O
InChIInChI=1S/C13H17NO4/c1-3-4-5-6-9-13(2,17)11(15)10-8(18-9)7-14-12(10)16/h7,9,17H,3-6H2,1-2H3/t9-,13-/m0/s1
InChIKeySYFQAADJVCMWAR-ZANVPECISA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (26107089)
ChEBI Ontology
Outgoing Relation(s)
Paraphaeosphaeride B (CHEBI:205202) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,3S)-3-hydroxy-3-methyl-2-pentyl-2H-pyrano[2,3-c]pyrrole-4,5-dione
Manual XrefsDatabases
35000191ChemSpider