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CHEBI:18236 - 6-demethylsterigmatocystin

Default Structure
ChEBI IDCHEBI:18236
ChEBI Name6-demethylsterigmatocystin
Stars
Secondary ChEBI IDsCHEBI:2178, CHEBI:12239, CHEBI:20711
Last Modified26 August 2015
DownloadsMolfile
FormulaC17H10O6
Net Charge0
Average Mass310.261
Monoisotopic Mass310.04774
SMILES[H][C@]12OC=C[C@@]1([H])c1c(cc(O)c3c(=O)c4c(O)cccc4oc13)O2
InChIInChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1
InChIKeyRQQOEIJLJPCYJR-BWKAKNAASA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
6-demethylsterigmatocystin (CHEBI:18236) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3aR,12cS)-6,8-dihydroxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Synonyms  Source
6-demethylsterigmatocystinChEBI
6-DemethylsterigmatocystinKEGG COMPOUND
demethylsterigmatocystinChemIDplus
UniProt Name  Source
6-demethylsterigmatocystinUniProt
Manual XrefsDatabases
C03683KEGG COMPOUND
C03683KEGG COMPOUND
LMPK10000002LIPID MAPS
Registry NumbersSources
CAS:30461-65-5ChemIDplus