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CHEBI:209327 - Aspergillusol A

ChEBI IDCHEBI:209327
ChEBI NameAspergillusol A
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SubmitterMetaboLights
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FormulaC22H24N2O10
Net Charge0
Average Mass476.438
Monoisotopic Mass476.14309
SMILESO=C(OC[C@@H](O)[C@@H](O)COC(=O)/C(Cc1ccc(O)cc1)=N/O)/C(Cc1ccc(O)cc1)=N/O
InChIInChI=1S/C22H24N2O10/c25-15-5-1-13(2-6-15)9-17(23-31)21(29)33-11-19(27)20(28)12-34-22(30)18(24-32)10-14-3-7-16(26)8-4-14/h1-8,19-20,25-28,31-32H,9-12H2/b23-17+,24-18+/t19-,20+
InChIKeyBXRQJOBHKCDAJW-VYKMKSEPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (19824618)
ChEBI Ontology
Outgoing Relation(s)
Aspergillusol A (CHEBI:209327) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2S,3R)-2,3-dihydroxy-4-[(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxybutyl] (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
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28287070ChemSpider