CHEBI:18227 - sterigmatocystin

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ChEBI Name sterigmatocystin
ChEBI ID CHEBI:18227
Definition An organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9262, CHEBI:15109, CHEBI:26758
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Formula C18H12O6
Net Charge 0
Average Mass 324.28428
Monoisotopic Mass 324.063
InChI InChI=1S/C18H12O6/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/h2-8,18-19H,1H3/t8-,18+/m0/s1
InChIKey UTSVPXMQSFGQTM-DCXZOGHSSA-N
SMILES [H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c1oc1cccc(O)c1c2=O
Roles Classification
Biological Role(s): 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.
(via sterigmatocystins )
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ChEBI Ontology
Outgoing sterigmatocystin (CHEBI:18227) has role metabolite (CHEBI:25212)
sterigmatocystin (CHEBI:18227) is a sterigmatocystins (CHEBI:26759)
Incoming 11-hydroxy-O-methylsterigmatocystin (CHEBI:72680) has functional parent sterigmatocystin (CHEBI:18227)
IUPAC Name
(3aR,12cS)-8-hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Synonyms Sources
8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one NIST Chemistry WebBook
Sterigmatocystin KEGG COMPOUND
sterigmatocystin UniProt
Database Links Databases
C00000563 KNApSAcK
C00961 KEGG COMPOUND
LMPK10000001 LIPID MAPS
Sterigmatocystin Wikipedia
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Registry Numbers Types Sources
10048-13-2 CAS Registry Number KEGG COMPOUND
10048-13-2 CAS Registry Number ChemIDplus
10048-13-2 CAS Registry Number NIST Chemistry WebBook
1299458 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
28 July 2014