EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202113 - Neosarphenol A

ChEBI IDCHEBI:202113
ChEBI NameNeosarphenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESC/C=C/c1occ([C@@H]2OC(=O)c3cc(O)cc(OC)c32)c(=O)c1OC
InChIInChI=1S/C18H16O7/c1-4-5-12-17(23-3)15(20)11(8-24-12)16-14-10(18(21)25-16)6-9(19)7-13(14)22-2/h4-8,16,19H,1-3H3/b5-4+/t16-/m0/s1
InChIKeyVFJPJQDQLJMBHF-APHBUQMISA-N
Species of MetaboliteComponentSourceComments
Aspergillus neoglaber (ncbitaxon:41049) - DOI (10.1002/hlca.201400231)
ChEBI Ontology
Outgoing Relation(s)
Neosarphenol A (CHEBI:202113) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-6-hydroxy-4-methoxy-3-[5-methoxy-4-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-2-benzouran-1-one
Manual XrefsDatabases
78436817ChemSpider