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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10083 - Xylopine
Main
ChEBI Ontology
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ChEBI Name
Xylopine
ChEBI ID
CHEBI:10083
Stars
This entity has been manually annotated by a third party.
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Formula
C18H17NO3
Net Charge
0
Average Mass
295.333
Monoisotopic Mass
295.12084
InChI
InChI=1S/C18H17NO3/c1-
20-
12-
2-
3-
13-
11(6-
12)
7-
14-
16-
10(4-
5-
19-
14)
8-
15-
18(17(13)
16)
22-
9-
21-
15/h2-
3,6,8,14,19H,4-
5,7,9H2,1H3/t14-
/m1/s1
InChIKey
RFWCCZDSXIZJMF-CQSZACIVSA-N
SMILES
COc1ccc-2c(C[C@H]3NCCc4cc5OCOc5c-2c34)c1
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
Xylopine (
CHEBI:10083
)
is a
aporphine alkaloid (
CHEBI:134209
)
Synonym
Source
Xylopine
KEGG COMPOUND
Manual Xrefs
Databases
C00001928
KNApSAcK
C09670
KEGG COMPOUND
View more database links
Registry Number
Type
Source
517-71-5
CAS Registry Number
KEGG COMPOUND
Last Modified
04 January 2017