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CHEBI:80843 - Leonurine

ChEBI IDCHEBI:80843
ChEBI NameLeonurine
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DownloadsMolfile
FormulaC14H21N3O5
Net Charge0
Average Mass311.338
Monoisotopic Mass311.14812
SMILESCOc1cc(C(=O)OCCCCNC(=N)N)cc(OC)c1O
InChIInChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
InChIKeyWNGSUWLDMZFYNZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Leonurine (CHEBI:80843) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym  Source
NorboldineKEGG COMPOUND
Manual XrefsDatabases
C16985KEGG COMPOUND
Registry NumbersSources
CAS:24697-74-3KEGG COMPOUND