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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4780 - emetamine
Main
ChEBI Ontology
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ChEBI Name
emetamine
ChEBI ID
CHEBI:4780
Definition
A pyridoisoquinoline consisting of emetine having a fully aromatised isoquinoline.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C29H36N2O4
Net Charge
0
Average Mass
476.60722
Monoisotopic Mass
476.26751
InChI
InChI=1S/C29H36N2O4/c1-
6-
18-
17-
31-
10-
8-
20-
14-
27(33-
3)
29(35-
5)
16-
23(20)
25(31)
12-
21(18)
11-
24-
22-
15-
28(34-
4)
26(32-
2)
13-
19(22)
7-
9-
30-
24/h7,9,13-
16,18,21,25H,6,8,10-
12,17H2,1-
5H3/t18-
,21-
,25-
/m0/s1
InChIKey
MBYXEBXZARTUSS-HMHJJOSWSA-N
SMILES
[H][C@]1(Cc2nccc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
ChEBI Ontology
Outgoing
emetamine (
CHEBI:4780
)
has functional parent
emetine (
CHEBI:4781
)
emetamine (
CHEBI:4780
)
is a
pyridoisoquinoline (
CHEBI:61692
)
IUPAC Name
6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan
Synonym
Source
Emetamine
KEGG COMPOUND
Manual Xrefs
Databases
C00001848
KNApSAcK
C09420
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
100605
Beilstein Registry Number
Beilstein
483-19-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014