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CHEBI:72677 - dihydrosterigmatocystin

Default Structure
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:
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.
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)
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
2',3'-dihydrosterigmatocystinChEBI
8-Hydroxy-6-methoxy-1,2,3aR,12cS-tetrahydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-oneChemIDplus
DHSTSUBMITTER
UniProt Name  Source
dihydrosterigmatocystinUniProt
Manual XrefsDatabases
CPD-4587MetaCyc
HMDB0030590HMDB
Registry NumbersSources
Reaxys:1269106Reaxys
CAS:6795-16-0ChemIDplus
Citations