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CHEBI:215944 - Cylindrolactone A

Default Structure
ChEBI IDCHEBI:215944
ChEBI NameCylindrolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O6
Net Charge0
Average Mass272.297
Monoisotopic Mass272.12599
SMILESC[C@H]1CCC(=O)C[C@H](CC(O)C(=O)O)CCC(=O)O1
InChIInChI=1S/C13H20O6/c1-8-2-4-10(14)6-9(3-5-12(16)19-8)7-11(15)13(17)18/h8-9,11,15H,2-7H2,1H3,(H,17,18)/t8-,9+,11?/m0/s1
InChIKeyKNSWCEPBKIEVGH-VUHGHZMFSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon (ncbitaxon:13474) - PubMed (29236361)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cylindrolactone A (CHEBI:215944) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-hydroxy-3-[(5S,10S)-10-methyl-2,7-dioxooxecan-5-yl]propanoic acid
Manual XrefsDatabases
64853572ChemSpider