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CHEBI:218610 - Chaetospirolactone

ChEBI IDCHEBI:218610
ChEBI NameChaetospirolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC/C=C/C1=C(/C=C/C)C(=O)[C@@]2(C1)C[C@@H](O)C(=O)O2
InChIInChI=1S/C14H16O4/c1-3-5-9-7-14(8-11(15)13(17)18-14)12(16)10(9)6-4-2/h3-6,11,15H,7-8H2,1-2H3/b5-3+,6-4+/t11-,14-/m1/s1
InChIKeyXEMRXEYFLUVEGM-AIUSXAPHSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (28478698)
ChEBI Ontology
Outgoing Relation(s)
Chaetospirolactone (CHEBI:218610) is a carboxylic ester (CHEBI:33308)
Chaetospirolactone (CHEBI:218610) is a ketone (CHEBI:17087)
IUPAC Name 
(3R,5R)-3-hydroxy-7,8-bis[(E)-prop-1-enyl]-1-oxaspiro[4.4]non-7-ene-2,9-dione
Manual XrefsDatabases
78441832ChemSpider