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CHEBI:226833 - Acyl-hemiacetal sterigmatocystin

ChEBI IDCHEBI:226833
ChEBI NameAcyl-hemiacetal sterigmatocystin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O8
Net Charge0
Average Mass384.340
Monoisotopic Mass384.08452
SMILESCOc1cc2c(c3oc4cccc(O)c4c(=O)c13)C1CC(OC(C)=O)OC1O2
InChIInChI=1S/C20H16O8/c1-8(21)25-14-6-9-15-13(27-20(9)28-14)7-12(24-2)17-18(23)16-10(22)4-3-5-11(16)26-19(15)17/h3-5,7,9,14,20,22H,6H2,1-2H3
InChIKeyCSABSDUFSLGSMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24458562)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Acyl-hemiacetal sterigmatocystin (CHEBI:226833) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(15-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-5-yl) acetate
Manual XrefsDatabases
4590295ChemSpider