Mol:FL1C19NI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1179 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1179 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5616 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5616 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0053 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0053 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0053 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0053 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5616 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5616 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5510 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5510 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1073 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1073 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7805 -0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7805 -0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3415 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3415 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3415 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3415 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7805 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7805 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5510 -0.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5510 -0.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5616 -1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5616 -1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2305 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2305 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6742 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6742 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7866 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7866 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3415 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3415 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7866 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7866 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4751 1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4751 1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9751 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9751 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 17 3 1 0 0 0 0 | + | 17 3 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.4751 1.1123 | + | M SVB 1 24 -1.4751 1.1123 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C19NI0003 | + | ID FL1C19NI0003 |
| − | KNApSAcK_ID C00007052 | + | KNApSAcK_ID C00007052 |
| − | NAME Derricin | + | NAME Derricin |
| − | CAS_RN 38965-77-4 | + | CAS_RN 38965-77-4 |
| − | FORMULA C21H22O3 | + | FORMULA C21H22O3 |
| − | EXACTMASS 322.15689456999996 | + | EXACTMASS 322.15689456999996 |
| − | AVERAGEMASS 322.39758 | + | AVERAGEMASS 322.39758 |
| − | SMILES C(c(c1O)c(ccc1C(=O)C=Cc(c2)cccc2)OC)C=C(C)C | + | SMILES C(c(c1O)c(ccc1C(=O)C=Cc(c2)cccc2)OC)C=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
-1.1179 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5616 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0053 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0053 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5616 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 -0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3415 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3415 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -0.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5616 -1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2305 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6742 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3415 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4751 1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9751 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 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
17 3 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.4751 1.1123
S SKP 8
ID FL1C19NI0003
KNApSAcK_ID C00007052
NAME Derricin
CAS_RN 38965-77-4
FORMULA C21H22O3
EXACTMASS 322.15689456999996
AVERAGEMASS 322.39758
SMILES C(c(c1O)c(ccc1C(=O)C=Cc(c2)cccc2)OC)C=C(C)C
M END
