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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:6378 - Lappaconitine
Main
ChEBI Ontology
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ChEBI Name
Lappaconitine
ChEBI ID
CHEBI:6378
Stars
This entity has been manually annotated by a third party.
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Formula
C32H44N2O8
Net Charge
0
Average Mass
584.702
Monoisotopic Mass
584.30977
InChI
InChI=1S/C32H44N2O8/c1-
6-
34-
16-
29(42-
28(36)
18-
9-
7-
8-
10-
21(18)
33-
17(2)
35)
12-
11-
25(40-
4)
31-
23(29)
14-
20(26(31)
34)
30(37)
15-
22(39-
3)
19-
13-
24(31)
32(30,38)
27(19)
41-
5/h7-
10,19-
20,22-
27,37-
38H,6,11-
16H2,1-
5H3,(H,33,35)
/t19-
,20+,22+,23-
,24+,25+,26?,27+,29-
,30+,31+,32+/m1/s1
InChIKey
NWBWCXBPKTTZNQ-BAERZWJTSA-N
SMILES
CCN1C[C@@]
2(CC[C@H]
(OC)
[C@@]
34[C@@H]
5C[C@H]
6[C@H]
(OC)
[C@]
5(O)
[C@]
(O)
(C[C@@H]
6OC)
[C@@H]
(C[C@H]
23)
C14)
OC(=O)
c1ccccc1NC(C)
=O
ChEBI Ontology
Outgoing
Lappaconitine (
CHEBI:6378
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
Lappaconitine
KEGG COMPOUND
Manual Xrefs
Databases
C00001650
KNApSAcK
C08694
KEGG COMPOUND
View more database links
Registry Number
Type
Source
32854-75-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014