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CHEBI:210185 - Pseurotin H

ChEBI IDCHEBI:210185
ChEBI NamePseurotin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17NO7
Net Charge0
Average Mass347.323
Monoisotopic Mass347.10050
SMILESCO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(CO)=C(C)C2=O)C1O
InChIInChI=1S/C17H17NO7/c1-9-11(8-19)25-16(12(9)20)14(22)17(24-2,18-15(16)23)13(21)10-6-4-3-5-7-10/h3-7,14,19,22H,8H2,1-2H3,(H,18,23)/t14?,16-,17-/m1/s1
InChIKeyABMZAOGPZUCQHB-VNCLPFQGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32640519)
ChEBI Ontology
Outgoing Relation(s)
Pseurotin H (CHEBI:210185) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S,8S)-8-benzoyl-9-hydroxy-2-(hydroxymethyl)-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Manual XrefsDatabases
88294778ChemSpider