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CHEBI:173678 - Rotundine B

Default Structure
ChEBI IDCHEBI:173678
ChEBI NameRotundine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23NO
Net Charge0
Average Mass233.355
Monoisotopic Mass233.17796
SMILESCc1nccc2c1CC(CCC(C)O)C2(C)C
InChIInChI=1S/C15H23NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,10,12,17H,5-6,9H2,1-4H3
InChIKeyIMDXDPUTIISQIM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Rotundine B (CHEBI:173678) is a methylpyridines (CHEBI:25340)
IUPAC Name 
4-(1,5,5-trimethyl-6,7-dihydrocyclopenta[c]pyridin-6-yl)butan-2-ol
Manual XrefsDatabases
35013879ChemSpider
HMDB0035232HMDB