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CHEBI:189875 - 17-U-46619

ChEBI IDCHEBI:189875
ChEBI Name17-U-46619
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILES[H][C@]12CO[C@]([H])(C1)[C@@H](/C=C/[C@@H](O)C/C=C\CC)[C@H]2C/C=C\CCCC(=O)O
InChIInChI=1S/C21H32O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h3-4,6-7,12-13,16-20,22H,2,5,8-11,14-15H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t16-,17+,18+,19+,20-/m1/s1
InChIKeyXXHSKVZXPIQTFH-CKBZENMVSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
17-U-46619 (CHEBI:189875) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,4S,5S,6S)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Manual XrefsDatabases
29341951ChemSpider