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CHEBI:165298 - Dichotellate B

ChEBI IDCHEBI:165298
ChEBI NameDichotellate B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILESCCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OC(=O)CC(C)C
InChIInChI=1S/C26H42O4/c1-5-6-7-8-13-16-19-24(30-26(28)22-23(2)3)20-17-14-11-9-10-12-15-18-21-25(27)29-4/h10-14,16-17,20,23-24H,5-9,15,18-19,21-22H2,1-4H3/b12-10-,14-11-,16-13-,20-17+/t24-/m1/s1
InChIKeyOKHPUUNJBPCHEJ-WFYRLPSZSA-N
ChEBI Ontology
Outgoing Relation(s)
Dichotellate B (CHEBI:165298) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
methyl (5Z,8Z,10E,12R,14Z)-12-(3-methylbutanoyloxy)icosa-5,8,10,14-tetraenoate
Manual XrefsDatabases
27026260ChemSpider
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