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CHEBI:202939 - Catathelasmol E

Default Structure
ChEBI IDCHEBI:202939
ChEBI NameCatathelasmol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O5
Net Charge0
Average Mass204.222
Monoisotopic Mass204.09977
SMILESCC(=O)OCCC[C@H](O)COC(C)=O
InChIInChI=1S/C9H16O5/c1-7(10)13-5-3-4-9(12)6-14-8(2)11/h9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyIINLCSVXAQHGFW-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Catathelasma imperiale (ncbitaxon:181976) - PubMed (19329984)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Catathelasmol E (CHEBI:202939) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(4S)-5-acetyloxy-4-hydroxypentyl] acetate
Manual XrefsDatabases
78440920ChemSpider