EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212358 - Pseurotin A2

ChEBI IDCHEBI:212358
ChEBI NamePseurotin A2
Stars
SubmitterMetaboLights
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-OZPDKZFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1139/v10-157)
ChEBI Ontology
Outgoing Relation(s)
Pseurotin A2 (CHEBI:212358) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8R,9S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
27026269ChemSpider