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CHEBI:216449 - (E)-2-hydroxy-9,11-dimethyl-12-phenyldodec-9-ene-1,2,3-tricarboxylic acid

Default Structure
ChEBI IDCHEBI:216449
ChEBI Name(E)-2-hydroxy-9,11-dimethyl-12-phenyldodec-9-ene-1,2,3-tricarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O7
Net Charge0
Average Mass420.502
Monoisotopic Mass420.21480
SMILESC/C(=C\C(C)Cc1ccccc1)CCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C23H32O7/c1-16(13-17(2)14-18-10-6-4-7-11-18)9-5-3-8-12-19(21(26)27)23(30,22(28)29)15-20(24)25/h4,6-7,10-11,13,17,19,30H,3,5,8-9,12,14-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b16-13+
InChIKeyNLNJIEVMUWDLAZ-DTQAZKPQSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-2-hydroxy-9,11-dimethyl-12-phenyldodec-9-ene-1,2,3-tricarboxylic acid (CHEBI:216449) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(E)-2-hydroxy-9,11-dimethyl-12-phenyldodec-9-ene-1,2,3-tricarboxylic acid
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