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CHEBI:67822 - gustastatin

Default Structure
ChEBI IDCHEBI:67822
ChEBI Namegustastatin
Stars
DefinitionA natural product found in Cupania cinerea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H40O9
Net Charge0
Average Mass556.652
Monoisotopic Mass556.26723
SMILESCCCCCC(=O)Cc1cc(OC)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)OC)c(OC)c1
InChIInChI=1S/C31H40O9/c1-6-8-10-12-22(32)14-20-16-24(37-3)18-26(34)28(20)31(36)40-25-17-21(15-23(33)13-11-9-7-2)29(30(35)39-5)27(19-25)38-4/h16-19,34H,6-15H2,1-5H3
InChIKeyFHOVJOXBAHBKGJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane extract of dried and powdered bark
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)
gustastatin (CHEBI:67822) has role metabolite (CHEBI:25212)
gustastatin (CHEBI:67822) is a carbonyl compound (CHEBI:36586)
Synonym  Source
[3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl]2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoateChEBI
Citations