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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:2971 - backebergine
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ChEBI Ontology
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ChEBI Name
backebergine
ChEBI ID
CHEBI:2971
Definition
A member of the class of isoquinolines carrying two methoxy substituents at positions 6 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H11NO2
Net Charge
0
Average Mass
189.21058
Monoisotopic Mass
189.07898
InChI
InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3
InChIKey
JAJVYESKUNMYPN-UHFFFAOYSA-N
SMILES
COc1cc2ccncc2cc1OC
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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
backebergine (
CHEBI:2971
)
has role
plant metabolite (
CHEBI:76924
)
backebergine (
CHEBI:2971
)
is a
isoquinoline alkaloid (
CHEBI:24921
)
backebergine (
CHEBI:2971
)
is a
isoquinolines (
CHEBI:24922
)
IUPAC Name
6,7-dimethoxyisoquinoline
Synonym
Source
Backebergine
KEGG COMPOUND
Manual Xrefs
Databases
C00001815
KNApSAcK
C09348
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
129335
Reaxys Registry Number
Reaxys
15248-39-2
CAS Registry Number
KEGG COMPOUND
15248-39-2
CAS Registry Number
ChemIDplus
Citation
Type
Source
6512536
PubMed citation
Europe PMC
Last Modified
11 February 2015