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CHEBI:226002 - Trachyspic acid 19-butyl ester

Default Structure
ChEBI IDCHEBI:226002
ChEBI NameTrachyspic acid 19-butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O9
Net Charge0
Average Mass468.543
Monoisotopic Mass468.23593
SMILESCCCCCCCCCC1=CO[C@]2(C[C@H](C(=O)O)[C@@](CC(=O)O)(C(=O)OCCCC)O2)C1=O
InChIInChI=1S/C24H36O9/c1-3-5-7-8-9-10-11-12-17-16-32-24(20(17)27)14-18(21(28)29)23(33-24,15-19(25)26)22(30)31-13-6-4-2/h16,18H,3-15H2,1-2H3,(H,25,26)(H,28,29)/t18-,23+,24+/m1/s1
InChIKeyQVSWRRPJGDCTOZ-DKLXNKCPSA-N
ChEBI Ontology
Outgoing Relation(s)
Trachyspic acid 19-butyl ester (CHEBI:226002) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2S,3S,5S)-2-butoxycarbonyl-2-(carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-3-carboxylic acid
Manual XrefsDatabases
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