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CHEBI:191267 - 5-methoxysterigmatocystin

Default Structure
ChEBI IDCHEBI:191267
ChEBI Name5-methoxysterigmatocystin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O7
Net Charge0
Average Mass354.314
Monoisotopic Mass354.07395
SMILES[H][C@]12OC=C[C@@]1([H])c1c(cc(OC)c3c(=O)c4c(O)ccc(OC)c4oc13)O2
InChIInChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1
InChIKeyVVRUNWFPOWIBDY-WPCRTTGESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
5-methoxysterigmatocystin (CHEBI:191267) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3S,7R)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one
Manual XrefsDatabases
4508303ChemSpider
Registry NumbersSources
CAS:22897-08-1ChemIDplus