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CHEBI:215474 - Asperidine A

Default Structure
ChEBI IDCHEBI:215474
ChEBI NameAsperidine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H29NO
Net Charge0
Average Mass275.436
Monoisotopic Mass275.22491
SMILESCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-9-12-16-14-18(20)17(19-16)13-15-10-7-6-8-11-15/h6-8,10-11,16-20H,2-5,9,12-14H2,1H3/t16-,17+,18+/m1/s1
InChIKeyZWOWUVBTGMGXFA-SQNIBIBYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30078607)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asperidine A (CHEBI:215474) is a aralkylamine (CHEBI:18000)
IUPAC Name 
(2S,3S,5R)-2-benzyl-5-heptylpyrrolidin-3-ol