CHEBI:227338 - 11-O-methylpseurotin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11-O-methylpseurotin A
ChEBI ID CHEBI:227338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27NO8
Net Charge 0
Average Mass 445.468
Monoisotopic Mass 445.17367
InChI InChI=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
InChIKey BSXLPZRKEPWAAT-CHZVKGAWSA-N
SMILES O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13OC([C@@H](O)[C@@H](OC)/C=C\CC)=C(C3=O)C)O
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
23310679 ChemSpider
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