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CHEBI:225077 - Trichurusin K

Default Structure
ChEBI IDCHEBI:225077
ChEBI NameTrichurusin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O7
Net Charge0
Average Mass476.610
Monoisotopic Mass476.27740
SMILESC/C=C(\C)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](CCO)COC(C)=O
InChIInChI=1S/C27H40O7/c1-7-18(2)14-20(4)15-21(5)27-24(9-11-26(31)34-27)33-25(30)10-8-19(3)16-23(12-13-28)17-32-22(6)29/h7-11,16,20-21,23-24,27-28H,12-15,17H2,1-6H3/b10-8+,18-7+,19-16+/t20-,21-,23-,24+,27+/m0/s1
InChIKeyGNSIYVQSUYJKLR-RTXPVSPMSA-N
Species of MetaboliteComponentSourceComments
Trichurus terrophilus (ncbitaxon:644595) - PubMed (16079521)
ChEBI Ontology
Outgoing Relation(s)
Trichurusin K (CHEBI:225077) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(2R,3R)-2-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-6-(acetyloxymethyl)-8-hydroxy-4-methylocta-2,4-dienoate
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