COMPOUND: C08681
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Entry
C08681 Compound
Name
Elatine;
Aconitane-4-methanol, 20-ethyl-7,8-(methylenebis(oxy))-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate(ester), (1-alpha,6-beta,14-alpha,16-beta)-
Formula
C38H50N2O10
Exact mass
694.3465
Mol weight
694.811
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived by amination reactions
Terpenoid alkaloids
C08681 Elatine
BRITE hierarchy
Other DBs
CAS:
26000-16-8
PubChem:
10874
ChEBI:
4768
KNApSAcK:
C00001637
3DMET:
B05274
NIKKAJI:
J583.520H
LinkDB
All DBs
KCF data
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ATOM 50
1 C1z C 26.9799 -15.8272
2 C1y C 26.9682 -14.4946
3 C1y C 26.9799 -17.1775
4 C1y C 27.9444 -15.0558
5 C1y C 25.8284 -15.1668
6 C1z C 29.2536 -17.6684
7 N1y N 25.3433 -16.5872
8 C1y C 27.9912 -17.9725
9 C1z C 25.8284 -17.8380
10 C1y C 29.1835 -15.3421
11 C1x C 27.8333 -13.7932
12 C1x C 24.6652 -15.8272
13 O2a O 25.8284 -13.8225
14 C1z C 29.7798 -16.4410
15 O2x O 30.2532 -18.5453
16 C1x C 25.3490 -18.9954
17 C1b C 24.1333 -15.8857
18 O2a O 27.6989 -19.2759
19 C1x C 24.6652 -17.1716
20 C1b C 26.4129 -18.9954
21 C1y C 29.8323 -14.2551
22 C1y C 28.9906 -13.3023
23 C1a C 24.6712 -13.1561
24 C1x C 31.3462 -15.7222
25 O2x O 31.1125 -16.5638
26 C1x C 31.4047 -17.8673
27 C1a C 22.9234 -16.5872
28 C1a C 28.9726 -20.1761
29 O7a O 26.4069 -20.3340
30 O2a O 32.1002 -13.1211
31 C1y C 30.2532 -13.2963
32 C7a C 25.3024 -20.9242
33 C1a C 33.4734 -13.7464
34 O2a O 31.0540 -12.0810
35 C8y C 25.2965 -22.1224
36 O6a O 24.4077 -20.3223
37 C1a C 30.5221 -10.8710
38 C8y C 24.2620 -22.7071
39 C8x C 26.3195 -22.7188
40 N1y N 23.2332 -22.1050
41 C8x C 24.3203 -23.8936
42 C8x C 26.3135 -23.9111
43 C5x C 22.2513 -22.7771
44 C5x C 22.8883 -20.9535
45 C8x C 25.2790 -24.5072
46 C1y C 21.3044 -22.0582
47 O5x O 22.2919 -24.0396
48 C1x C 21.7017 -20.9359
49 O5x O 23.6190 -20.0007
50 C1a C 20.1645 -22.4030
BOND 58
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 6 15 1
15 7 16 1
16 7 17 1
17 8 18 1 #Up
18 9 19 1
19 9 20 1 #Up
20 10 21 1
21 11 22 1
22 13 23 1
23 14 24 1
24 14 25 1 #Up
25 15 26 1
26 17 27 1
27 18 28 1
28 20 29 1
29 21 30 1 #Down
30 22 31 1
31 29 32 1
32 30 33 1
33 31 34 1 #Up
34 32 35 1
35 32 36 2
36 34 37 1
37 35 38 2
38 35 39 1
39 38 40 1
40 38 41 1
41 39 42 2
42 40 43 1
43 40 44 1
44 41 45 2
45 43 46 1
46 43 47 2
47 44 48 1
48 44 49 2
49 46 50 1
50 6 8 1
51 9 16 1 #Down
52 10 14 1
53 12 19 1
54 21 22 1
55 24 31 1
56 25 26 1
57 42 45 1
58 46 48 1
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