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CHEBI:192649 - 15-epi Cloprostenol

ChEBI IDCHEBI:192649
ChEBI Name15-epi Cloprostenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29ClO6
Net Charge0
Average Mass424.921
Monoisotopic Mass424.16527
SMILESO=C(O)CCC/C=C/C[C@@H]1[C@@H](C=C[C@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1+,11-10?/t16-,18+,19+,20-,21+/m0/s1
InChIKeyVJGGHXVGBSZVMZ-QPBPIFPESA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
15-epi Cloprostenol (CHEBI:192649) is a prostanoid (CHEBI:26347)
IUPAC Name 
(E)-7-[(1R,2R,3R,5S)-2-[(3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
57620028ChemSpider