Mol:FLNA29NS0002
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 |
| − | -0.4814 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4814 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6477 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6477 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2679 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2679 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7388 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7388 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3821 -1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3821 -1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5544 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5544 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0835 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0835 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4403 -1.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4403 -1.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9355 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9355 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5557 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5557 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8527 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8527 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6874 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6874 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1389 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1389 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7556 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7556 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9209 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9209 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4694 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4694 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2558 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2558 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2087 -0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2087 -0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1746 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1746 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2975 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2975 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1193 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1193 0.2037 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 9 20 1 0 0 0 0 | + | 9 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 -1.7782 0.6113 | + | M SVB 2 22 -1.7782 0.6113 |
| − | 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 -1.4212 1.78 | + | M SVB 1 20 -1.4212 1.78 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNA29NS0002 | + | ID FLNA29NS0002 |
| − | KNApSAcK_ID C00010193 | + | KNApSAcK_ID C00010193 |
| − | NAME Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin | + | NAME Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin |
| − | CAS_RN 1857-05-2 | + | CAS_RN 1857-05-2 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES COc(c3)c(OC)cc(c23)C(=CC(=O)O2)c(c1)cccc1 | + | SMILES COc(c3)c(OC)cc(c23)C(=CC(=O)O2)c(c1)cccc1 |
M END | M END | ||
| − | |||
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
-0.4814 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6477 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7388 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3821 -1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5544 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4403 -1.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5557 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6874 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1389 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7556 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9209 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4694 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2558 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 -0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1746 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1193 0.2037 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
9 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 -1.7782 0.6113
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 -1.4212 1.78
S SKP 8
ID FLNA29NS0002
KNApSAcK_ID C00010193
NAME Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin
CAS_RN 1857-05-2
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)c(OC)cc(c23)C(=CC(=O)O2)c(c1)cccc1
M END
