CHEBI:80843 - Leonurine

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ChEBI Name Leonurine
ChEBI ID CHEBI:80843
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H21N3O5
Net Charge 0
Average Mass 311.33360
Monoisotopic Mass 311.148
InChI InChI=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)
InChIKey WNGSUWLDMZFYNZ-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1O)C(=O)OCCCCNC(N)=N
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Leonurine (CHEBI:80843) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym Source
Norboldine KEGG COMPOUND
Manual Xref Database
C16985 KEGG COMPOUND
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Registry Number Type Source
24697-74-3 CAS Registry Number KEGG COMPOUND