CHEBI:72674 - versicolorin B

ChEBI IDCHEBI:72674
ChEBI Nameversicolorin B
Stars
DefinitionAn 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.
Last Modified6 June 2016
SubmitterKAX
DownloadsMolfile
FormulaC18H12O7
Net Charge0
Average Mass340.287
Monoisotopic Mass340.05830
SMILES[H][C@]12OCC[C@@]1([H])c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2
InChIInChI=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
InChIKeyBABJNKGTTYCTOO-ULCDLSAGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (15184162)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 XrefsDatabases
CPD-10175MetaCyc
Registry NumbersSources
Reaxys:5634236Reaxys
CAS:4331-22-0ChemIDplus
Citations