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CHEBI:190744 - dihydrodemethylsterigmatocystin

ChEBI IDCHEBI:190744
ChEBI Namedihydrodemethylsterigmatocystin
Stars
DefinitionAn organic heteropentacyclic compound that is sterigmatocystin in which the methoxy group at position 6 is replaced by a hydroxy group.
Last Modified14 December 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O6
Net Charge0
Average Mass312.277
Monoisotopic Mass312.06339
SMILES[H][C@]12OCC[C@@]1([H])c1c(cc(O)c3c(=O)c4c(O)cccc4oc13)O2
InChIInChI=1S/C17H12O6/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/h1-3,6-7,17-19H,4-5H2/t7-,17+/m0/s1
InChIKeyWUSMTEDKVPWFDN-BWKAKNAASA-N
Species of MetaboliteComponentSourceComments
Oreochromis niloticus (ncbitaxon:8128) serum (BTO:0001239) MetaboLights (MTBLS4262)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
dihydrodemethylsterigmatocystin (CHEBI:190744) has role Aspergillus metabolite (CHEBI:76956)
dihydrodemethylsterigmatocystin (CHEBI:190744) is a sterigmatocystins (CHEBI:26759)
Incoming Relation(s)
sterigmatocystin (CHEBI:18227) has functional parent dihydrodemethylsterigmatocystin (CHEBI:190744)
IUPAC Name 
(3aR,12cS)-6,8-dihydroxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Synonyms  Source
(3S,7R)-11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-oneIUPAC
DHDMSTKEGG COMPOUND
demethyldihydrosterigmatocystinChEBI
(3aR,12cS)-1,2,3a,12c-tetrahydro-6,8-dihydroxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-oneChEBI
UniProt Name  Source
dihydro-6-demethylsterigmatocystinUniProt
Manual XrefsDatabases
C20444KEGG COMPOUND
20129490ChemSpider
CPD-4586MetaCyc
Registry NumbersSources
CAS:30517-66-9ChemIDplus
Citations