CHEBI:77907 - hydroxyversicolorone(1−)

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ChEBI Name hydroxyversicolorone(1−)
ChEBI ID CHEBI:77907
ChEBI ASCII Name hydroxyversicolorone(1-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C20H15O8
Net Charge -1
Average Mass 383.32880
Monoisotopic Mass 383.07724
InChI InChI=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
InChIKey JGXCLZAVTLWCBF-LXGOIASLSA-M
SMILES CC(=O)CC[C@@H]1[C@@H](O)Oc2cc3C(=O)c4cc([O-])cc(O)c4C(=O)c3c(O)c12
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Synonym Source
1'-hydroxyversicolorone UniProt
Last Modified
09 June 2014