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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:81092 - Isomatrine
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ChEBI Ontology
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ChEBI Name
Isomatrine
ChEBI ID
CHEBI:81092
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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SDF
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Formula
C15H24N2O
Net Charge
0
Average Mass
248.36390
Monoisotopic Mass
248.18886
InChI
InChI=1S/C15H24N2O/c18-
14-
7-
1-
6-
13-
12-
5-
3-
9-
16-
8-
2-
4-
11(15(12)
16)
10-
17(13)
14/h11-
13,15H,1-
10H2/t11-
,12+,13-
,15-
/m1/s1
InChIKey
ZSBXGIUJOOQZMP-QVHKTLOISA-N
SMILES
O=C1CCC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34
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
Isomatrine (
CHEBI:81092
)
is a
alkaloid (
CHEBI:22315
)
Manual Xref
Database
C17442
KEGG COMPOUND
View more database links