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CHEBI:210282 - Citrinoviric acid

ChEBI IDCHEBI:210282
ChEBI NameCitrinoviric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O6
Net Charge0
Average Mass284.308
Monoisotopic Mass284.12599
SMILESC/C=C/CCC(=O)CC[C@@]1(C)O[C@@](C)(C(=O)O)OC1=O
InChIInChI=1S/C14H20O6/c1-4-5-6-7-10(15)8-9-13(2)12(18)19-14(3,20-13)11(16)17/h4-5H,6-9H2,1-3H3,(H,16,17)/b5-4+/t13-,14+/m1/s1
InChIKeyHSRPYTSFTHJNOE-WEHDMVHDSA-N
Species of MetaboliteComponentSourceComments
Trichoderma citrinoviride (ncbitaxon:58853) - DOI (10.3987/com-13-12874)
ChEBI Ontology
Outgoing Relation(s)
Citrinoviric acid (CHEBI:210282) is a ketal (CHEBI:59777)
IUPAC Name 
(2R,4R)-2,4-dimethyl-5-oxo-4-[(E)-3-oxooct-6-enyl]-1,3-dioxolane-2-carboxylic acid
Manual XrefsDatabases
34981482ChemSpider