CHEBI:204417 - Tricladic acid B

ChEBI IDCHEBI:204417
ChEBI NameTricladic acid B
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SubmitterMetaboLights
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FormulaC13H20O5
Net Charge0
Average Mass256.298
Monoisotopic Mass256.13107
SMILESC=C(C(=O)O)/C(=C\CCCC[C@@H](O)CC)C(=O)O
InChIInChI=1S/C13H20O5/c1-3-10(14)7-5-4-6-8-11(13(17)18)9(2)12(15)16/h8,10,14H,2-7H2,1H3,(H,15,16)(H,17,18)/b11-8+/t10-/m0/s1
InChIKeyNSVBQXZBZSCZMM-NGPGYTDTSA-N
Species of MetaboliteComponentSourceComments
Tricladium castaneicola (ncbitaxon:693256) - PubMed (25875311)
ChEBI Ontology
Outgoing Relation(s)
Tricladic acid B (CHEBI:204417) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2E)-2-[(6S)-6-hydroxyoctylidene]-3-methylidenebutanedioic acid
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