Mol:FL1DHYNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5457 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5457 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3315 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3315 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -1.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -1.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0994 0.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0994 0.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 -1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 -1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -1.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -1.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3850 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3850 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3850 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3850 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0994 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0994 0.2218 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 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 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -6.3140 3.4381 | + | M SBV 1 23 -6.3140 3.4381 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHYNS0001 | + | ID FL1DHYNS0001 |
| − | KNApSAcK_ID C00007952 | + | KNApSAcK_ID C00007952 |
| − | NAME Gliricidol | + | NAME Gliricidol |
| − | CAS_RN 72061-66-6 | + | CAS_RN 72061-66-6 |
| − | FORMULA C16H16O7 | + | FORMULA C16H16O7 |
| − | EXACTMASS 320.089602866 | + | EXACTMASS 320.089602866 |
| − | AVERAGEMASS 320.29404 | + | AVERAGEMASS 320.29404 |
| − | SMILES COc(c(O)2)c(O)cc(c2)C(O)CC(=O)c(c1)c(O)cc(O)c1 | + | SMILES COc(c(O)2)c(O)cc(c2)C(O)CC(=O)c(c1)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -1.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -1.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.2218 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 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
7 16 2 0 0 0 0
1 17 1 0 0 0 0
3 18 1 0 0 0 0
9 19 1 0 0 0 0
14 20 1 0 0 0 0
12 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.3140 3.4381
S SKP 8
ID FL1DHYNS0001
KNApSAcK_ID C00007952
NAME Gliricidol
CAS_RN 72061-66-6
FORMULA C16H16O7
EXACTMASS 320.089602866
AVERAGEMASS 320.29404
SMILES COc(c(O)2)c(O)cc(c2)C(O)CC(=O)c(c1)c(O)cc(O)c1
M END
