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CHEBI:68707 - globosumone C

ChEBI IDCHEBI:68707
ChEBI Nameglobosumone C
Stars
DefinitionA benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chaetomium globosum.
Last Modified6 February 2018
DownloadsMolfile
FormulaC13H16O7
Net Charge0
Average Mass284.264
Monoisotopic Mass284.08960
SMILESCc1cc(O)cc(O)c1C(=O)OCC(=O)[C@@H](O)[C@H](C)O
InChIInChI=1S/C13H16O7/c1-6-3-8(15)4-9(16)11(6)13(19)20-5-10(17)12(18)7(2)14/h3-4,7,12,14-16,18H,5H2,1-2H3/t7-,12-/m0/s1
InChIKeyQKZBVIRYEJQQDG-MADCSZMMSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15921417)
Roles Classification
Biological Role:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
ChEBI Ontology
Outgoing Relation(s)
globosumone C (CHEBI:68707) has role Chaetomium metabolite (CHEBI:76960)
globosumone C (CHEBI:68707) is a benzoate ester (CHEBI:36054)
globosumone C (CHEBI:68707) is a resorcinols (CHEBI:33572)
globosumone C (CHEBI:68707) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3S,4S)-3,4-dihydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate
Synonym  Source
2'-oxo-3'R,4'S-dihydroxypentyl orsellinateChEBI
Manual XrefsDatabases
24714045ChemSpider
Registry NumbersSources
Reaxys:11045323Reaxys
Citations