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CHEBI:203492 - Tricladic acid A

Default Structure
ChEBI IDCHEBI:203492
ChEBI NameTricladic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O5
Net Charge0
Average Mass256.298
Monoisotopic Mass256.13107
SMILESC=C(C(=O)O)/C(=C\CCCCC[C@H](C)O)C(=O)O
InChIInChI=1S/C13H20O5/c1-9(14)7-5-3-4-6-8-11(13(17)18)10(2)12(15)16/h8-9,14H,2-7H2,1H3,(H,15,16)(H,17,18)/b11-8+/t9-/m0/s1
InChIKeyRBLYAPNDAMIDCY-OHMLCJAVSA-N
Species of MetaboliteComponentSourceComments
Tricladium castaneicola (ncbitaxon:693256) - PubMed (25875311)
ChEBI Ontology
Outgoing Relation(s)
Tricladic acid A (CHEBI:203492) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2E)-2-(7-hydroxyoctylidene)-3-methylidenebutanedioic acid
Manual XrefsDatabases
78434765ChemSpider