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CHEBI:2721 - Angoline

ChEBI IDCHEBI:2721
ChEBI NameAngoline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H21NO5
Net Charge0
Average Mass379.412
Monoisotopic Mass379.14197
SMILESCOc1ccc2c(c1OC)C(OC)N(C)c1c-2ccc2cc3c(cc12)OCO3
InChIInChI=1S/C22H21NO5/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4/h5-10,22H,11H2,1-4H3
InChIKeyLVWAKZBZWYHYCJ-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)
Angoline (CHEBI:2721) is a benzophenanthridine alkaloid (CHEBI:38517)
Synonym  Source
AngolineKEGG COMPOUND
Manual XrefsDatabases
C09336KEGG COMPOUND
C00001804KNApSAcK
Registry NumbersSources
CAS:21080-31-9KEGG COMPOUND