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CHEBI:187248 - (9R,12R,16R)-d14-10-PhytoF[10R,13S]

ChEBI IDCHEBI:187248
ChEBI Name(9R,12R,16R)-d14-10-PhytoF[10R,13S]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILES[H][C@]1([C@H](O)CCCCCCCC(=O)O)C[C@@H](O)[C@H](/C=C/[C@H](O)CC)O1
InChIInChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)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-/m1/s1
InChIKeyABMOBHDJIUJCNP-RQIUYOBUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(9R,12R,16R)-d14-10-PhytoF[10R,13S] (CHEBI:187248) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(9R)-9-hydroxy-9-[(2R,4R,5S)-4-hydroxy-5-[(E,3R)-3-hydroxypent-1-enyl]oxolan-2-yl]nonanoic acid
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