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CHEBI:72678 - 8-O-methyldihydrosterigmatocystin

ChEBI IDCHEBI:72678
ChEBI Name8-O-methyldihydrosterigmatocystin
Stars
ASCII Name8-O-methyldihydrosterigmatocystin
DefinitionA sterigmatocystin that is the 8-O-methyl derivative of dihydrosterigmatocystin.
Last Modified20 November 2014
SubmitterKAX
DownloadsMolfile
FormulaC19H16O6
Net Charge0
Average Mass340.331
Monoisotopic Mass340.09469
SMILES[H][C@]12OCC[C@@]1([H])c1c(cc(OC)c3c(=O)c4c(OC)cccc4oc13)O2
InChIInChI=1S/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1
InChIKeyWSBZDTWHZJNGKQ-ZRNGKTOUSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
8-O-methyldihydrosterigmatocystin (CHEBI:72678) has functional parent dihydrosterigmatocystin (CHEBI:72677)
8-O-methyldihydrosterigmatocystin (CHEBI:72678) has role metabolite (CHEBI:25212)
8-O-methyldihydrosterigmatocystin (CHEBI:72678) is a cyclic acetal (CHEBI:59770)
8-O-methyldihydrosterigmatocystin (CHEBI:72678) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3aR,12cS)-6,8-dimethoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Synonyms  Source
DhomstChemIDplus
1,2-Dihydro-O-methylsterigmatocystinChemIDplus
UniProt Name  Source
8-O-methyldihydrosterigmatocystinUniProt
Manual XrefsDatabases
HMDB0030591HMDB
CPD-4588MetaCyc
Registry NumbersSources
Reaxys:1270288Reaxys
CAS:24945-81-1ChemIDplus
Citations