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CHEBI:201265 - Trichurusin F

ChEBI IDCHEBI:201265
ChEBI NameTrichurusin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O7
Net Charge0
Average Mass448.556
Monoisotopic Mass448.24610
SMILESCC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)C/C(C)=C/C=O)=C\[C@@H](CO)CCO
InChIInChI=1S/C25H36O7/c1-17(15-21(16-28)10-12-27)5-7-23(29)31-22-6-8-24(30)32-25(22)20(4)14-19(3)13-18(2)9-11-26/h5-9,11,15,19-22,25,27-28H,10,12-14,16H2,1-4H3/b7-5+,17-15+,18-9+/t19-,20-,21-,22+,25+/m0/s1
InChIKeyPRTVRCOTGRINLU-KQFAVRCNSA-N
Species of MetaboliteComponentSourceComments
Trichurus terrophilus (ncbitaxon:644595) - PubMed (16079521)
ChEBI Ontology
Outgoing Relation(s)
Trichurusin F (CHEBI:201265) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(2R,3R)-2-[(E,2S,4R)-4,6-dimethyl-8-oxooct-6-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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9457319ChemSpider