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CHEBI:31115 - 3-Epimacronine

ChEBI IDCHEBI:31115
ChEBI Name3-Epimacronine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H19NO5
Net Charge0
Average Mass329.352
Monoisotopic Mass329.12632
SMILES[H][C@]12CN(C)[C@@]3([H])C[C@H](OC)C=C[C@@]13c1cc3c(cc1C(=O)O2)OCO3
InChIInChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3/t10-,15+,16+,18+/m1/s1
InChIKeyYEISBJOTHHFANE-NJVUAGGXSA-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)
3-Epimacronine (CHEBI:31115) is a alkaloid (CHEBI:22315)
Synonym  Source
3-EpimacronineKEGG COMPOUND
Manual XrefsDatabases
C12178KEGG COMPOUND