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CHEBI:77951 - versicolorin B(1−)

ChEBI IDCHEBI:77951
ChEBI Nameversicolorin B(1−)
Stars
ASCII Nameversicolorin B(1-)
DefinitionA phenolate anion obtained by deprotonation of the 8-hydroxy group of versicolorin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC18H11O7
Net Charge-1
Average Mass339.279
Monoisotopic Mass339.05103
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/p-1/t7-,18+/m0/s1
InChIKeyBABJNKGTTYCTOO-ULCDLSAGSA-M
ChEBI Ontology
Outgoing Relation(s)
versicolorin B(1−) (CHEBI:77951) is a phenolate anion (CHEBI:50525)
versicolorin B(1−) (CHEBI:77951) is conjugate base of versicolorin B (CHEBI:72674)
Incoming Relation(s)
versicolorin B (CHEBI:72674) is conjugate acid of versicolorin B(1−) (CHEBI:77951)
IUPAC Name 
(3aS,12aR)-4,6-dihydroxy-5,10-dioxo-2,3,3a,5,10,12a-hexahydroanthra[2,3-b]furo[3,2-d]furan-8-olate
UniProt Name  Source
versicolorin BUniProt