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CHEBI:203260 - Trichurusin B

ChEBI IDCHEBI:203260
ChEBI NameTrichurusin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O6
Net Charge0
Average Mass436.589
Monoisotopic Mass436.28249
SMILESC/C=C(\C)CC(C)CC(C)C1OC(=O)CCC1OC(=O)/C=C/C(C)=C/C(CO)CCO
InChIInChI=1S/C25H40O6/c1-6-17(2)13-19(4)14-20(5)25-22(8-10-24(29)31-25)30-23(28)9-7-18(3)15-21(16-27)11-12-26/h6-7,9,15,19-22,25-27H,8,10-14,16H2,1-5H3/b9-7+,17-6+,18-15+
InChIKeyOCXVGVTWMGMEPW-DVYBMHRESA-N
Species of MetaboliteComponentSourceComments
Trichurus terrophilus (ncbitaxon:644595) - PubMed (16079521)
ChEBI Ontology
Outgoing Relation(s)
Trichurusin B (CHEBI:203260) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[2-[(E)-4,6-dimethyloct-6-en-2-yl]-6-oxooxan-3-yl] (2E,4E)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
Manual XrefsDatabases
9353180ChemSpider