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CHEBI:169204 - PGF2alpha-11-acetate methyl ester

ChEBI IDCHEBI:169204
ChEBI NamePGF2alpha-11-acetate methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O6
Net Charge0
Average Mass410.551
Monoisotopic Mass410.26684
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1OC(C)=O
InChIInChI=1S/C23H38O6/c1-4-5-8-11-18(25)14-15-20-19(21(26)16-22(20)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
InChIKeyZGDWNZMBIMUYME-YNRDDPJXSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PGF2alpha-11-acetate methyl ester (CHEBI:169204) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
Manual XrefsDatabases
4446215ChemSpider
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