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CHEBI:203390 - Neosarphenol B

ChEBI IDCHEBI:203390
ChEBI NameNeosarphenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESC=C(C)/C=C/c1ccc2c(c1OC)C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=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+
InChIKeyXBAIUNZIMJALOJ-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus neoglaber (ncbitaxon:41049) - DOI (10.1002/hlca.201400231)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
28642846ChemSpider