Neosarphenol B (CHEBI:203390)

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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	Neosarphenol B

ChEBI ID	CHEBI:203390

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O5

Net Charge

Average Mass

352.386

Monoisotopic Mass

352.13107

InChI

InChI=1S/C21H20O5/c1-12(2)5-6-14-7-8-17-18(20(14)24-4)21(23)25-11-15-9-13(3)10-16(22)19(15)26-17/h5-10,22H,1,11H2,2-4H3/b6-5+

InChIKey

XBAIUNZIMJALOJ-AATRIKPKSA-N

SMILES

O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/C(=C)C

Metabolite of Species	Details
Aspergillus neoglaber (NCBI:txid41049)	See: DOI

ChEBI Ontology
Outgoing	Neosarphenol B (CHEBI:203390) is a aromatic ether (CHEBI:35618)

IUPAC Name

6-hydroxy-1-methoxy-8-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-10H-benzo[b][1,5]benzodioxocin-12-one