Mol:FLII1CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4828 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4828 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 1.7683 0.1565 | + | M SVB 2 22 1.7683 0.1565 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.4828 0.0779 | + | M SVB 1 20 -2.4828 0.0779 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1CNS0001 | + | ID FLII1CNS0001 |
| − | KNApSAcK_ID C00002409 | + | KNApSAcK_ID C00002409 |
| − | NAME Sainfuran | + | NAME Sainfuran |
| − | CAS_RN 90664-32-7 | + | CAS_RN 90664-32-7 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 | + | SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4828 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
11 16 1 0 0 0 0
4 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 1.7683 0.1565
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.4828 0.0779
S SKP 8
ID FLII1CNS0001
KNApSAcK_ID C00002409
NAME Sainfuran
CAS_RN 90664-32-7
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1
M END
