Mol:FLIHALNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3297 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3297 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6152 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6152 -0.4145 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 9 23 2 0 0 0 0 | + | 9 23 2 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -6.3988 4.6328 | + | M SBV 1 28 -6.3988 4.6328 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHALNI0002 | + | ID FLIHALNI0002 |
| − | KNApSAcK_ID C00010040 | + | KNApSAcK_ID C00010040 |
| − | NAME Glycycoumarin | + | NAME Glycycoumarin |
| − | CAS_RN 94805-82-0 | + | CAS_RN 94805-82-0 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES C(=C(c(c3)c(O)cc(O)c3)2)c(c1OC(=O)2)c(c(CC=C(C)C)c(O)c1)OC | + | SMILES C(=C(c(c3)c(O)cc(O)c3)2)c(c1OC(=O)2)c(c(CC=C(C)C)c(O)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3297 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6152 -0.4145 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
2 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
1 22 1 0 0 0 0
9 23 2 0 0 0 0
16 24 1 0 0 0 0
14 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -6.3988 4.6328
S SKP 8
ID FLIHALNI0002
KNApSAcK_ID C00010040
NAME Glycycoumarin
CAS_RN 94805-82-0
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES C(=C(c(c3)c(O)cc(O)c3)2)c(c1OC(=O)2)c(c(CC=C(C)C)c(O)c1)OC
M END
