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CHEBI:77947 - (S)-versiconol(1−)

Default Structure
ChEBI IDCHEBI:77947
ChEBI Name(S)-versiconol(1−)
Stars
ASCII Name(S)-versiconol(1-)
DefinitionA phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-versiconol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC18H15O8
Net Charge-1
Average Mass359.310
Monoisotopic Mass359.07724
SMILESO=C1c2cc([O-])cc(O)c2C(=O)c2c1cc(O)c([C@@H](CO)CCO)c2O
InChIInChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/p-1/t7-/m1/s1
InChIKeyZLIRCPWCWHTYNP-SSDOTTSWSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-versiconol(1−) (CHEBI:77947) is a phenolate anion (CHEBI:50525)
(S)-versiconol(1−) (CHEBI:77947) is conjugate base of (S)-versiconol (CHEBI:71665)
Incoming Relation(s)
(S)-versiconol (CHEBI:71665) is conjugate acid of (S)-versiconol(1−) (CHEBI:77947)
IUPAC Name 
6-[(2S)-1,4-dihydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate
UniProt Name  Source
(S)-versiconolUniProt