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CHEBI:210734 - Neosartoryone A

ChEBI IDCHEBI:210734
ChEBI NameNeosartoryone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O8S
Net Charge0
Average Mass378.358
Monoisotopic Mass378.04094
SMILESCOc1cc(S(C)(=O)=O)cc2c(=O)oc3cc(CO)cc(O)c3c(=O)c12
InChIInChI=1S/C17H14O8S/c1-24-12-6-9(26(2,22)23)5-10-14(12)16(20)15-11(19)3-8(7-18)4-13(15)25-17(10)21/h3-6,18-19H,7H2,1-2H3
InChIKeyNXSANKDFGRWIQS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (30785753)
ChEBI Ontology
Outgoing Relation(s)
Neosartoryone A (CHEBI:210734) is a oxacycle (CHEBI:38104)
IUPAC Name 
1-hydroxy-3-(hydroxymethyl)-10-methoxy-8-methylsulonylbenzo[c][1]benzoxepine-6,11-dione
Manual XrefsDatabases
73930318ChemSpider