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CHEBI:186952 - (10R,13S,16S)-d14-9-PhytoF[9R,12S]

ChEBI IDCHEBI:186952
ChEBI Name(10R,13S,16S)-d14-9-PhytoF[9R,12S]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILES[H][C@@]1([C@@H](O)/C=C/[C@@H](O)CC)C[C@@H](O)[C@@H](CCCCCCCC(=O)O)O1
InChIInChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
InChIKeyXSSRKBRTVPNAMX-HKTSXOKBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(10R,13S,16S)-d14-9-PhytoF[9R,12S] (CHEBI:186952) is a prostanoid (CHEBI:26347)
IUPAC Name 
8-[(2R,3R,5S)-5-[(E,1S,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
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113369365ChemSpider
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