CHEBI:3323 - Calligonine

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ChEBI Name Calligonine
ChEBI ID CHEBI:3323
Stars This entity has been manually annotated by a third party.
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Formula C12H14N2
Net Charge 0
Average Mass 186.253
Monoisotopic Mass 186.11570
InChI InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1
InChIKey LPIJOZBIVDCQTE-MRVPVSSYSA-N
SMILES C[C@H]1NCCc2c1[nH]c1ccccc21
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Calligonine (CHEBI:3323) is a harmala alkaloid (CHEBI:61379)
Synonyms Sources
Calligonine KEGG COMPOUND
Elaeagnine KEGG COMPOUND
Tetrahydroharman KEGG COMPOUND
Manual Xrefs Databases
C00001699 KNApSAcK
C09089 KEGG COMPOUND
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Registry Numbers Types Sources
2254-36-6 CAS Registry Number KEGG COMPOUND
525-40-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014