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CHEBI:187620 - (7R,10S,14R)-d12-8-NeuroF[8S,11S]

ChEBI IDCHEBI:187620
ChEBI Name(7R,10S,14R)-d12-8-NeuroF[8S,11S]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILES[H][C@@]1([C@H](O)C/C=C\CCC(=O)O)C[C@H](O)[C@H](/C=C/[C@H](O)C/C=C\C/C=C\CC)O1
InChIInChI=1S/C22H34O6/c1-2-3-4-5-6-8-11-17(23)14-15-20-19(25)16-21(28-20)18(24)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,9-7-,15-14+/t17-,18-,19+,20+,21+/m1/s1
InChIKeyXBKUQPPYYPCIDU-KZNDSVGHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(7R,10S,14R)-d12-8-NeuroF[8S,11S] (CHEBI:187620) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(Z,7R)-7-hydroxy-7-[(2S,4S,5S)-4-hydroxy-5-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]oxolan-2-yl]hept-4-enoic acid
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