Mol:Sennoside A
From Metabolomics.JP
Sennoside_A.mol
ChemDraw01061217142D
64 71 0 0 0 0 0 0 0 0999 V2000
-1.4472 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4472 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7327 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7327 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 2.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 2.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3350 -0.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 -1.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -1.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 -1.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7327 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4472 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4472 -1.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7327 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 -3.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7327 -3.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -0.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 -3.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5541 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5541 0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2686 -1.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4542 0.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2511 0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4542 1.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5541 3.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1416 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3436 2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5503 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 3.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 2.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3443 3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6298 3.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2686 2.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9666 2.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7534 2.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9311 1.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5112 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0987 -3.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3006 -3.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5074 -3.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9198 -2.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7179 -2.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3013 -2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 -1.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2256 -3.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9237 -3.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8881 -3.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 5 1 0
8 11 1 0
11 38 2 0
38 12 1 0
12 13 2 0
13 9 1 0
7 14 1 0
10 15 2 0
13 16 1 0
7 17 1 1
14 18 1 0
18 19 2 0
19 20 1 0
20 21 1 0
21 22 2 0
22 14 1 0
21 33 1 0
33 23 2 0
23 24 1 0
24 25 2 0
25 22 1 0
18 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 19 1 0
24 35 1 0
20 30 2 0
29 31 1 0
14 32 1 6
33 34 1 0
35 36 2 0
35 37 1 0
38 39 1 0
39 40 1 0
39 41 2 0
42 43 1 1
43 44 1 1
45 44 1 1
45 46 1 0
46 47 1 0
47 42 1 0
47 48 1 0
48 49 1 0
42 50 1 0
43 51 1 0
45 52 1 0
44 53 1 0
52 6 1 0
54 55 1 1
55 56 1 1
57 56 1 1
57 58 1 0
58 59 1 0
59 54 1 0
59 60 1 0
60 61 1 0
54 62 1 0
55 63 1 0
56 64 1 0
31 57 1 0
S SKP 5
ID Sennoside A
FORMULA
EXACTMASS
AVERAGEMASS
SMILES
M END
