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CHEBI:2708 - Androcymbine

ChEBI IDCHEBI:2708
ChEBI NameAndrocymbine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H25NO5
Net Charge0
Average Mass371.433
Monoisotopic Mass371.17327
SMILESCOC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(O)c(OC)c42)C3=CC1=O
InChIInChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
InChIKeyABMMKLCVJJTPJD-LHSJRXKWSA-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)
Androcymbine (CHEBI:2708) is a isoquinoline alkaloid (CHEBI:24921)
Synonym  Source
AndrocymbineKEGG COMPOUND
Manual XrefsDatabases
C10569KEGG COMPOUND
C00002314KNApSAcK
Registry NumbersSources
CAS:2115-98-2KEGG COMPOUND