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CHEBI:174486 - Pandamarilactone 31

ChEBI IDCHEBI:174486
ChEBI NamePandamarilactone 31
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25NO4
Net Charge0
Average Mass331.412
Monoisotopic Mass331.17836
SMILESCOC1(C)CC2=C(CCCN2CCC/C=C2\C=C(C)C(=O)O2)C1=O
InChIInChI=1S/C19H25NO4/c1-13-11-14(24-18(13)22)7-4-5-9-20-10-6-8-15-16(20)12-19(2,23-3)17(15)21/h7,11H,4-6,8-10,12H2,1-3H3/b14-7+
InChIKeyDJRTYVRGVQFHJR-VGOFMYFVSA-N
ChEBI Ontology
Outgoing Relation(s)
Pandamarilactone 31 (CHEBI:174486) is a tetrahydropyridine (CHEBI:26921)
IUPAC Name 
6-methoxy-6-methyl-1-[(4E)-4-(4-methyl-5-oxouran-2-ylidene)butyl]-2,3,4,7-tetrahydrocyclopenta[b]pyridin-5-one
Manual XrefsDatabases
35014873ChemSpider
HMDB0039766HMDB