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CHEBI:201215 - Trichurusin C/trichurusin E

ChEBI IDCHEBI:201215
ChEBI NameTrichurusin C/trichurusin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O7
Net Charge0
Average Mass450.572
Monoisotopic Mass450.26175
SMILESC=CC(C)(O)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO
InChIInChI=1S/C25H38O7/c1-6-25(5,30)15-18(3)13-19(4)24-21(8-10-23(29)32-24)31-22(28)9-7-17(2)14-20(16-27)11-12-26/h6-10,14,18-21,24,26-27,30H,1,11-13,15-16H2,2-5H3/b9-7+,17-14+/t18-,19+,20+,21-,24-,25?/m1/s1
InChIKeyWWPCIPLSEBENOX-BEPTYZGJSA-N
Species of MetaboliteComponentSourceComments
Trichurus terrophilus (ncbitaxon:644595) - PubMed (16079521)
ChEBI Ontology
Outgoing Relation(s)
Trichurusin C/trichurusin E (CHEBI:201215) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(2R,3R)-2-[(2S,4R)-6-hydroxy-4,6-dimethyloct-7-en-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
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