Mol:COX00089
From Metabolomics.JP
5282194
CDK 9/16/09,17:14
33 35 0 0 0 0 0 0 0 0999 V2000
7.1962 1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -0.4877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2010 1.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 1.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2120 0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
1 10 1 0 0 0 0
2 12 1 0 0 0 0
2 17 1 0 0 0 0
5 13 2 0 0 0 0
6 16 1 0 0 0 0
6 29 1 0 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
8 18 1 0 0 0 0
8 28 1 0 0 0 0
9 18 1 0 0 0 0
9 21 2 0 0 0 0
10 12 2 0 0 0 0
10 14 1 0 0 0 0
11 13 1 0 0 0 0
11 16 2 0 0 0 0
12 13 1 0 0 0 0
14 17 2 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
17 27 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 30 1 0 0 0 0
20 22 2 0 0 0 0
20 31 1 0 0 0 0
21 22 1 0 0 0 0
21 32 1 0 0 0 0
22 33 1 0 0 0 0
S SKP 6
NAME Tenoxicam
ID COX00089
FORMULA C13H11N3O4S2
EXACTMASS 337.019097235
AVERAGEMASS 337.37626
SMILES [H]OC(N([H])c(n3)c([H])c([H])c([H])c([H])3)=C(C(=O)1)N(C([H])([H])[H])S(=O)(=O)c(c([H])2)c(sc([H])2)1
M END
