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CHEBI:172069 - Dieporeticenin

ChEBI IDCHEBI:172069
ChEBI NameDieporeticenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64O4
Net Charge0
Average Mass572.915
Monoisotopic Mass572.48046
SMILESCCCCCCCCCC/C=C/CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O
InChIInChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17+
InChIKeyNHZOCAXASXRFNX-LVZFUZTISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Dieporeticenin (CHEBI:172069) is a polyketide (CHEBI:26188)
IUPAC Name 
2-methyl-4-[12-[3-[2-[3-[(E)-tetradec-3-enyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2H-uran-5-one