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CHEBI:190174 - Rotundine A

Default Structure
ChEBI IDCHEBI:190174
ChEBI NameRotundine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO
Net Charge0
Average Mass231.339
Monoisotopic Mass231.16231
SMILESCC(=O)CCC1Cc2c(ccnc2C)C1(C)C
InChIInChI=1S/C15H21NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyRNURUJBYBMGADV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
Rotundine A (CHEBI:190174) is a methylpyridines (CHEBI:25340)
IUPAC Name 
4-(1,5,5-trimethyl-6,7-dihydrocyclopenta[c]pyridin-6-yl)butan-2-one
Manual XrefsDatabases
8903572ChemSpider
HMDB0035271HMDB