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CHEBI:77907 - hydroxyversicolorone(1−)

ChEBI IDCHEBI:77907
ChEBI Namehydroxyversicolorone(1−)
Stars
ASCII Namehydroxyversicolorone(1-)
DefinitionA phenolate anion obtained by deprotonation of the 8-hydroxy group of hydroxyversicolorone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified9 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H15O8
Net Charge-1
Average Mass383.332
Monoisotopic Mass383.07724
SMILESCC(=O)CC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc([O-])cc2C3=O)O[C@@H]1O
InChIInChI=1S/C20H16O8/c1-7(21)2-3-9-15-13(28-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/p-1/t9-,20-/m0/s1
InChIKeyJGXCLZAVTLWCBF-LXGOIASLSA-M
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
hydroxyversicolorone(1−) (CHEBI:77907) has role metabolite (CHEBI:25212)
hydroxyversicolorone(1−) (CHEBI:77907) is a phenolate anion (CHEBI:50525)
hydroxyversicolorone(1−) (CHEBI:77907) is conjugate base of hydroxyversicolorone (CHEBI:71634)
Incoming Relation(s)
hydroxyversicolorone (CHEBI:71634) is conjugate acid of hydroxyversicolorone(1−) (CHEBI:77907)
IUPAC Name 
(2S,3S)-2,4,6-trihydroxy-5,10-dioxo-3-(3-oxobutyl)-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate
UniProt Name  Source
1'-hydroxyversicoloroneUniProt