EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226895 - Isosecosterigmatocystin

ChEBI IDCHEBI:226895
ChEBI NameIsosecosterigmatocystin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8
Net Charge0
Average Mass362.334
Monoisotopic Mass362.10017
SMILESCOc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12
InChIInChI=1S/C18H18O8/c1-25-13-5-10(22)14(8(6-19)11(23)7-20)18-16(13)17(24)15-9(21)3-2-4-12(15)26-18/h2-5,8,11,19-23H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyWHNAJPFARNBVDZ-GZMMTYOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (29717199)
ChEBI Ontology
Outgoing Relation(s)
Isosecosterigmatocystin (CHEBI:226895) is a xanthones (CHEBI:51149)
IUPAC Name 
3,8-dihydroxy-1-methoxy-4-[(2S,3S)-1,3,4-trihydroxybutan-2-yl]xanthen-9-one
Manual XrefsDatabases
71044448ChemSpider