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CHEBI:2906 - Atheroline

ChEBI IDCHEBI:2906
ChEBI NameAtheroline
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC19H15NO5
Net Charge0
Average Mass337.331
Monoisotopic Mass337.09502
SMILESCOc1cc2c(cc1O)C(=O)c1nccc3cc(OC)c(OC)c-2c13
InChIInChI=1S/C19H15NO5/c1-23-13-8-10-11(7-12(13)21)18(22)17-15-9(4-5-20-17)6-14(24-2)19(25-3)16(10)15/h4-8,21H,1-3H3
InChIKeyVITQCDLNBVTCJS-UHFFFAOYSA-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)
Atheroline (CHEBI:2906) is a oxoaporphine alkaloid (CHEBI:132998)
Synonym  Source
AtherolineKEGG COMPOUND
Manual XrefsDatabases
C09343KEGG COMPOUND
C00001812KNApSAcK
Registry NumbersSources
CAS:5140-35-2KEGG COMPOUND