COMPOUND: C08693
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Entry
C08693 Compound
Name
Karakoline;
Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-
Formula
C22H35NO4
Exact mass
377.2566
Mol weight
377.52
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived by amination reactions
Terpenoid alkaloids
C08693 Karakoline
BRITE hierarchy
Other DBs
CAS:
39089-30-0
PubChem:
10886
ChEBI:
6113
KNApSAcK:
C00001649
NIKKAJI:
J17.652D
LinkDB
All DBs
KCF data
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ATOM 27
1 C1z C 26.1100 -18.5033
2 C1y C 26.0926 -17.2667
3 C1y C 26.9966 -17.7859
4 C1y C 26.1100 -19.7400
5 C1y C 25.0543 -17.8792
6 C1y C 28.2041 -20.1891
7 N1y N 24.5935 -19.1975
8 C1y C 28.1399 -18.0425
9 C1x C 26.8975 -16.6251
10 C1z C 25.0543 -20.3524
11 C1x C 27.0375 -20.4750
12 C1x C 23.9693 -18.5033
13 O1a O 25.0543 -16.6484
14 C1z C 28.6999 -19.0691
15 C1x C 24.5409 -21.4200
16 C1b C 23.5318 -18.5850
17 C1y C 28.7408 -17.0451
18 C1y C 27.9708 -16.1643
19 C1x C 23.9693 -19.7400
20 C1a C 25.7425 -21.9800
21 C1x C 30.1408 -18.3984
22 O1a O 29.9715 -19.8217
23 C1a C 22.4585 -19.1975
24 O1a O 30.8408 -16.0009
25 C1y C 29.1316 -16.1643
26 O2a O 29.8666 -14.9567
27 C1a C 29.3882 -13.6150
BOND 32
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1
5 6 2 1 #Down
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1
14 7 15 1
15 7 16 1
16 8 17 1
17 9 18 1
18 10 19 1
19 10 20 1 #Up
20 14 21 1
21 14 22 1 #Up
22 16 23 1
23 17 24 1 #Down
24 18 25 1
25 25 26 1 #Up
26 26 27 1
27 6 11 1
28 8 14 1
29 10 15 1 #Down
30 12 19 1
31 17 18 1
32 21 25 1
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