Mol:FLNA29NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9291 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9291 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9291 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9291 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4634 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4634 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4634 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4634 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4682 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4682 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9340 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9340 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9340 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9340 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4682 1.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4682 1.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4682 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4682 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0122 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0122 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0122 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0122 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4682 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4682 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9486 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9486 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9486 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9486 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3947 0.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3947 0.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 1.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 1.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2864 1.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2864 1.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7865 2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7865 2.4022 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 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 |
| − | 7 11 1 0 0 0 0 | + | 7 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 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.2864 1.5362 | + | M SVB 1 21 -1.2864 1.5362 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNA29NS0001 | + | ID FLNA29NS0001 |
| − | KNApSAcK_ID C00002519 | + | KNApSAcK_ID C00002519 |
| − | NAME Dalbergin;6-Hydroxy-7-methoxy-4-phenylcoumarin | + | NAME Dalbergin;6-Hydroxy-7-methoxy-4-phenylcoumarin |
| − | CAS_RN 482-83-7 | + | CAS_RN 482-83-7 |
| − | FORMULA C16H12O4 | + | FORMULA C16H12O4 |
| − | EXACTMASS 268.073558872 | + | EXACTMASS 268.073558872 |
| − | AVERAGEMASS 268.26408 | + | AVERAGEMASS 268.26408 |
| − | SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)cccc1 | + | SMILES COc(c3)c(O)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/
20 22 0 0 0 0 0 0 0 0999 V2000
-0.9291 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9291 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4634 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4634 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9340 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9340 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 1.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9486 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9486 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3947 0.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 1.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2864 1.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7865 2.4022 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 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
7 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
9 18 2 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.2864 1.5362
S SKP 8
ID FLNA29NS0001
KNApSAcK_ID C00002519
NAME Dalbergin;6-Hydroxy-7-methoxy-4-phenylcoumarin
CAS_RN 482-83-7
FORMULA C16H12O4
EXACTMASS 268.073558872
AVERAGEMASS 268.26408
SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)cccc1
M END
