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CHEBI:227338 - 11-O-methylpseurotin A

ChEBI IDCHEBI:227338
ChEBI Name11-O-methylpseurotin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27NO8
Net Charge0
Average Mass445.468
Monoisotopic Mass445.17367
SMILESCC/C=C\[C@H](OC)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
InChIInChI=1S/C23H27NO8/c1-5-6-12-15(30-3)16(25)17-13(2)18(26)22(32-17)20(28)23(31-4,24-21(22)29)19(27)14-10-8-7-9-11-14/h6-12,15-16,20,25,28H,5H2,1-4H3,(H,24,29)/b12-6-/t15-,16-,20+,22+,23+/m0/s1
InChIKeyBSXLPZRKEPWAAT-CHZVKGAWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (17929896)
ChEBI Ontology
Outgoing Relation(s)
11-O-methylpseurotin A (CHEBI:227338) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8S,9R)-8-benzoyl-9-hydroxy-2-[(Z,1S,2S)-1-hydroxy-2-methoxyhex-3-enyl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
23310679ChemSpider