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CHEBI:77976 - versicolorin A(1−)

ChEBI IDCHEBI:77976
ChEBI Nameversicolorin A(1−)
Stars
ASCII Nameversicolorin A(1-)
DefinitionA phenolate anion obtained by deprotonation of the 8-hydroxy group of versicolorin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC18H9O7
Net Charge-1
Average Mass337.263
Monoisotopic Mass337.03538
SMILES[H][C@]12OC=C[C@@]1([H])c1c(cc3c(c1O)C(=O)c1c(O)cc([O-])cc1C3=O)O2
InChIInChI=1S/C18H10O7/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/h1-5,7,18-20,23H/p-1/t7-,18+/m0/s1
InChIKeySJNDYXPJRUTLNW-ULCDLSAGSA-M
ChEBI Ontology
Outgoing Relation(s)
versicolorin A(1−) (CHEBI:77976) is a phenolate anion (CHEBI:50525)
versicolorin A(1−) (CHEBI:77976) is conjugate base of versicolorin A (CHEBI:72676)
Incoming Relation(s)
versicolorin A (CHEBI:72676) is conjugate acid of versicolorin A(1−) (CHEBI:77976)
IUPAC Name 
(3aS,12aR)-4,6-dihydroxy-5,10-dioxo-3a,5,10,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-8-olate
UniProt Name  Source
versicolorin AUniProt