EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71634 - hydroxyversicolorone

ChEBI IDCHEBI:71634
ChEBI Namehydroxyversicolorone
Stars
DefinitionAn anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 3-oxobutyl group.
Last Modified6 June 2016
SubmitterKAX
DownloadsMolfile
FormulaC20H16O8
Net Charge0
Average Mass384.340
Monoisotopic Mass384.08452
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/t9-,20-/m0/s1
InChIKeyJGXCLZAVTLWCBF-LXGOIASLSA-N
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 (CHEBI:71634) has role metabolite (CHEBI:25212)
hydroxyversicolorone (CHEBI:71634) is a p-quinones (CHEBI:25830)
hydroxyversicolorone (CHEBI:71634) is a anthrafuran (CHEBI:71652)
hydroxyversicolorone (CHEBI:71634) is a lactol (CHEBI:38131)
hydroxyversicolorone (CHEBI:71634) is a polyphenol (CHEBI:26195)
hydroxyversicolorone (CHEBI:71634) is conjugate acid of hydroxyversicolorone(1−) (CHEBI:77907)
Incoming Relation(s)
hydroxyversicolorone(1−) (CHEBI:77907) is conjugate base of hydroxyversicolorone (CHEBI:71634)
IUPAC Name 
(2S,3S)-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione
Synonym  Source
1'-hydroxyversicoloroneChEBI
Manual XrefsDatabases
CPD-10168MetaCyc
Registry NumbersSources
Reaxys:5313681Reaxys
CAS:111975-78-1ChemIDplus
Citations