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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3323 - Calligonine
Main
ChEBI Ontology
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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
)
View more via ChEBI Ontology
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
View more database links
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