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CHEBI:198593 - Trichurusin D

ChEBI IDCHEBI:198593
ChEBI NameTrichurusin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O7
Net Charge0
Average Mass450.572
Monoisotopic Mass450.26175
SMILESC=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](CO)CCO)C(C)O
InChIInChI=1S/C25H38O7/c1-16(14-21(15-27)10-11-26)6-8-23(29)31-22-7-9-24(30)32-25(22)19(4)13-17(2)12-18(3)20(5)28/h6-9,14,17,19-22,25-28H,3,10-13,15H2,1-2,4-5H3/b8-6+,16-14+/t17-,19-,20?,21-,22+,25+/m0/s1
InChIKeyQRWBFJVOYWUREI-OHSCEGBASA-N
Species of MetaboliteComponentSourceComments
Trichurus terrophilus (ncbitaxon:644595) - PubMed (16079521)
ChEBI Ontology
Outgoing Relation(s)
Trichurusin D (CHEBI:198593) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(2R,3R)-2-[(2S,4R)-7-hydroxy-4-methyl-6-methylideneoctan-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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