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CHEBI:36057 - crinan

ChEBI IDCHEBI:36057
ChEBI Namecrinan
Stars
Last Modified15 June 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H19NO2
Net Charge0
Average Mass257.333
Monoisotopic Mass257.14158
SMILES[H][C@@]12CCCC[C@]13CC[N@@]2Cc1cc2c(cc13)OCO2
InChIInChI=1S/C16H19NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h7-8,15H,1-6,9-10H2/t15-,16-/m1/s1
InChIKeyBTBHTKZYHPDQSN-HZPDHXFCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
crinan (CHEBI:36057) is a isoquinoline alkaloid (CHEBI:24921)
crinan (CHEBI:36057) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
IUPAC Name 
crinan
Registry NumbersSources
Beilstein:89796Beilstein
Beilstein:6149358Beilstein