Neosartoryone A (CHEBI:210734)

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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	Neosartoryone A

ChEBI ID	CHEBI:210734

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H14O8S

Net Charge

Average Mass

378.350

Monoisotopic Mass

378.04094

InChI

InChI=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

InChIKey

NXSANKDFGRWIQS-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=CC(OC)=C2C(=O)C=3C(O)=CC(=CC3OC(C2=C1)=O)CO)C

Metabolite of Species	Details
Neosartorya (NCBI:txid36629)	See: PubMed

ChEBI Ontology
Outgoing	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