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CHEBI:72677 - dihydrosterigmatocystin

ChEBI IDCHEBI:72677
ChEBI Namedihydrosterigmatocystin
Stars
DefinitionA sterigmatocystin whose skeleton comprises a xanthone ring system ortho-fused to a dihydrofuranofuran moiety.
Last Modified4 March 2013
SubmitterKAX
DownloadsMolfile
FormulaC18H14O6
Net Charge0
Average Mass326.304
Monoisotopic Mass326.07904
SMILES[H][C@]12OCC[C@@]1([H])c1c(cc(OC)c3c(=O)c4c(O)cccc4oc13)O2
InChIInChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3/t8-,18+/m0/s1
InChIKeyRHGQIWVTIHZRLI-DCXZOGHSSA-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.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
dihydrosterigmatocystin (CHEBI:72677) has role carcinogenic agent (CHEBI:50903)
dihydrosterigmatocystin (CHEBI:72677) has role metabolite (CHEBI:25212)
dihydrosterigmatocystin (CHEBI:72677) is a cyclic acetal (CHEBI:59770)
dihydrosterigmatocystin (CHEBI:72677) is a sterigmatocystins (CHEBI:26759)
Incoming Relation(s)
11-hydroxy-O-methyldihydrosterigmatocystin (CHEBI:72679) has functional parent dihydrosterigmatocystin (CHEBI:72677)
8-O-methyldihydrosterigmatocystin (CHEBI:72678) has functional parent dihydrosterigmatocystin (CHEBI:72677)
IUPAC Name 
(3aR,12cS)-8-hydroxy-6-methoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Synonyms  Source
DHSTSUBMITTER
8-Hydroxy-6-methoxy-1,2,3aR,12cS-tetrahydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-oneChemIDplus
2',3'-dihydrosterigmatocystinChEBI
UniProt Name  Source
dihydrosterigmatocystinUniProt
Manual XrefsDatabases
HMDB0030590HMDB
CPD-4587MetaCyc
Registry NumbersSources
Reaxys:1269106Reaxys
CAS:6795-16-0ChemIDplus
Citations