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CHEBI:229936 - Sarcoehrendin I

ChEBI IDCHEBI:229936
ChEBI NameSarcoehrendin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O7
Net Charge0
Average Mass452.588
Monoisotopic Mass452.27740
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@@H](/C=C\CCCCC(=O)OC)[C@@H](O)C[C@H]1OC(C)=O)OC(C)=O
InChIInChI=1S/C25H40O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h10,13,15-16,20-24,28H,5-9,11-12,14,17H2,1-4H3/b13-10-,16-15+/t20-,21+,22+,23-,24+/m0/s1
InChIKeyYFKVHMFAMUUTDI-HHNLZXQZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
Sarcoehrendin I (CHEBI:229936) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl-9S-hydroxy-11R,15S-diacetoxy-6Z,13E-prostadienoate
Manual XrefsDatabases
LMFA03010230LIPID MAPS