Mol:Benzoylmesaconine
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs01040811172D 45 51 0 0 1 0 0 0 0 0 1 V2000 9.8388 -14.4217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6156 -13.8208 0.0000 C 0 0 0 0 0...) |
Latest revision as of 11:19, 4 January 2010
ACD/Labs01040811172D
45 51 0 0 1 0 0 0 0 0 1 V2000
9.8388 -14.4217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6156 -13.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6156 -15.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4637 -15.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6155 -12.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6556 -12.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9522 -13.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6555 -15.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9522 -15.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5293 -14.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6802 -11.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8128 -14.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7014 -12.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0277 -12.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8555 -14.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6047 -13.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4636 -17.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5824 -16.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3118 -17.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6306 -13.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4637 -13.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3119 -13.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3119 -15.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6816 -16.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3595 -17.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3290 -18.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9505 -16.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.4326 -15.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.9310 -13.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.5080 -14.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8571 -11.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7582 -10.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0051 -11.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 -15.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4636 -11.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3118 -11.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9447 -9.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0175 -8.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9038 -7.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2040 -7.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9766 -6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2768 -6.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1631 -5.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0584 -10.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3118 -19.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
2 5 1 6 0 0 0
3 2 1 0 0 0 0
7 6 1 0 0 0 0
8 3 1 0 0 0 0
9 8 1 0 0 0 0
10 9 1 0 0 0 0
9 5 1 6 0 0 0
2 6 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 6 0 0 0
13 7 1 0 0 0 0
14 13 1 0 0 0 0
15 10 1 0 0 0 0
16 14 1 0 0 0 0
16 15 1 0 0 0 0
14 12 1 6 0 0 0
7 10 1 0 0 0 0
1 5 1 0 0 0 0
4 17 1 1 0 0 0
4 18 1 6 0 0 0
17 19 1 0 0 0 0
18 1 1 0 0 0 0
1 20 1 0 0 0 0
23 22 1 0 0 0 0
22 21 1 0 0 0 0
4 23 1 0 0 0 0
2 21 1 0 0 0 0
3 24 1 1 0 0 0
8 25 1 6 0 0 0
25 26 1 0 0 0 0
10 27 1 1 0 0 0
15 28 1 6 0 0 0
16 29 1 1 0 0 0
29 30 1 0 0 0 0
14 31 1 0 0 0 0
13 32 1 1 0 0 0
7 33 1 1 0 0 0
23 34 1 6 0 0 0
21 35 1 6 0 0 0
35 36 1 0 0 0 0
32 37 1 0 0 0 0
39 38 1 0 0 0 0
40 38 2 0 0 0 0
41 39 2 0 0 0 0
42 40 1 0 0 0 0
43 41 1 0 0 0 0
43 42 2 0 0 0 0
37 38 1 0 0 0 0
37 44 2 0 0 0 0
19 45 1 0 0 0 0
S SKP 5
ID Benzoylmesaconine
FORMULA C31H43NO10
EXACTMASS 589.288696601
AVERAGEMASS 589.67386
SMILES OC(C7)C(C6)(C([H])(C54C7OC)C(C(C5N6C)C(O)(C1([H])3)C(O)C(C(CC34[H])(C(OC(c(c2)cccc2)=O)1)O)OC)OC)COC
M END
