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CHEBI:215480 - Asperidine B

ChEBI IDCHEBI:215480
ChEBI NameAsperidine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35NO
Net Charge0
Average Mass317.517
Monoisotopic Mass317.27186
SMILESCCCCCCCC[C@@H]1CC[C@H](O)[C@H](Cc2ccccc2)N1C
InChIInChI=1S/C21H35NO/c1-3-4-5-6-7-11-14-19-15-16-21(23)20(22(19)2)17-18-12-9-8-10-13-18/h8-10,12-13,19-21,23H,3-7,11,14-17H2,1-2H3/t19-,20+,21+/m1/s1
InChIKeyIFEQGXBZTSVFMN-HKBOAZHASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30078607)
ChEBI Ontology
Outgoing Relation(s)
Asperidine B (CHEBI:215480) is a piperidines (CHEBI:26151)
IUPAC Name 
(2S,3S,6R)-2-benzyl-1-methyl-6-octylpiperidin-3-ol
Manual XrefsDatabases
90662173ChemSpider