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CHEBI:215485 - Asperidine C

ChEBI IDCHEBI:215485
ChEBI NameAsperidine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33NO2
Net Charge0
Average Mass331.500
Monoisotopic Mass331.25113
SMILESCCCCCCCCC[C@@H]1C[C@H](O)[C@H]2CN1O[C@@H]2c1ccccc1
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-11-14-18-15-20(23)19-16-22(18)24-21(19)17-12-9-8-10-13-17/h8-10,12-13,18-21,23H,2-7,11,14-16H2,1H3/t18-,19-,20+,21-/m1/s1
InChIKeyZEKACHFYLSYPOC-MXEMCNAFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30078607)
ChEBI Ontology
Outgoing Relation(s)
Asperidine C (CHEBI:215485) is a organonitrogen heterocyclic compound (CHEBI:38101)
Asperidine C (CHEBI:215485) is a oxazole (CHEBI:35790)
IUPAC Name 
(2R,4S,5R,6S)-2-nonyl-6-phenyl-7-oxa-1-azabicyclo[3.2.1]octan-4-ol
Manual XrefsDatabases
90662549ChemSpider