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CHEBI:64535 - pseurotin A

ChEBI IDCHEBI:64535
ChEBI Namepseurotin A
Stars
DefinitionA spirocyclic that is 1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione bearing 1,2-dihydroxyhex-3-en-1-yl, methyl, methoxy, benzoyl and hydroxy substituents at positions 2, 3, 8, 8 and 9 respectively.
Last Modified16 April 2013
SubmitterSteve
DownloadsMolfile
FormulaC22H25NO8
Net Charge0
Average Mass431.441
Monoisotopic Mass431.15802
SMILESCC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
InChIInChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1
InChIKeySLYDIPAXCVVRNY-UOWMTANKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pseurotin A (CHEBI:64535) has role metabolite (CHEBI:25212)
pseurotin A (CHEBI:64535) is a azaspiro compound (CHEBI:35624)
pseurotin A (CHEBI:64535) is a lactam (CHEBI:24995)
pseurotin A (CHEBI:64535) is a oxaspiro compound (CHEBI:37948)
Incoming Relation(s)
14-norpseurotin A (CHEBI:66636) has functional parent pseurotin A (CHEBI:64535)
IUPAC Name 
(5S,8S,9R)-8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxyhex-3-en-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Synonym  Source
PseurotinChemIDplus
Registry NumbersSources
Reaxys:18900004Reaxys
CAS:58523-30-1ChemIDplus
Citations