CHEBI:72674 - versicolorin B

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ChEBI Name versicolorin B
ChEBI ID CHEBI:72674
Definition An organic heteropentacyclic compound that is 2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information ZINC000085560803
Download Molfile XML SDF
Formula C18H12O7
Net Charge 0
Average Mass 340.28370
Monoisotopic Mass 340.05830
InChI InChI=1S/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7-,18+/m0/s1
InChIKey BABJNKGTTYCTOO-ULCDLSAGSA-N
SMILES [H][C@]12OCC[C@@]1([H])c1c(O)c3C(=O)c4c(O)cc(O)cc4C(=O)c3cc1O2
Metabolite of Species Details
Aspergillus parasiticus (NCBI:txid5067) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing versicolorin B (CHEBI:72674) has role Aspergillus metabolite (CHEBI:76956)
versicolorin B (CHEBI:72674) is a p-quinones (CHEBI:25830)
versicolorin B (CHEBI:72674) is a cyclic acetal (CHEBI:59770)
versicolorin B (CHEBI:72674) is a organic heteropentacyclic compound (CHEBI:38164)
versicolorin B (CHEBI:72674) is a polyphenol (CHEBI:26195)
versicolorin B (CHEBI:72674) is conjugate acid of versicolorin B(1−) (CHEBI:77951)
Incoming versicolorin B(1−) (CHEBI:77951) is conjugate base of versicolorin B (CHEBI:72674)
IUPAC Name
(3aS,12aR)-4,6,8-trihydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione
Manual Xref Database
CPD-10175 MetaCyc
View more database links
Registry Numbers Types Sources
4331-22-0 CAS Registry Number ChemIDplus
5634236 Reaxys Registry Number Reaxys
Citations Types Sources
15184162 PubMed citation Europe PMC
15932995 PubMed citation Europe PMC
1731640 PubMed citation SUBMITTER
22648070 PubMed citation Europe PMC
8368837 PubMed citation Europe PMC
8999832 PubMed citation Europe PMC
Last Modified
06 June 2016