Mol:FL2FCANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8433 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8433 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8433 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8433 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3429 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3429 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8424 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8424 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8424 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8424 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3429 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3429 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3420 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3420 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1585 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1585 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1585 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1585 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3420 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3420 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6586 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6586 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1730 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1730 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6873 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6873 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6873 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6873 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1730 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1730 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6586 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6586 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1585 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1585 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3429 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3429 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1849 -1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1849 -1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2005 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2005 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2005 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2005 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7004 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7004 1.6172 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.2005 0.7511 | + | M SVB 1 23 -2.2005 0.7511 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCANS0001 | + | ID FL2FCANS0001 |
| − | KNApSAcK_ID C00000999 | + | KNApSAcK_ID C00000999 |
| − | NAME Sakuranetin | + | NAME Sakuranetin |
| − | CAS_RN 2957-21-3 | + | CAS_RN 2957-21-3 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C[C@]([H])1c(c2)ccc(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C[C@]([H])1c(c2)ccc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8433 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8433 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8424 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8424 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3420 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3420 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6873 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6873 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1849 -1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2005 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2005 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7004 1.6172 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 5 1 0 0 0 0
9 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
9 17 1 1 0 0 0
3 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.2005 0.7511
S SKP 8
ID FL2FCANS0001
KNApSAcK_ID C00000999
NAME Sakuranetin
CAS_RN 2957-21-3
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C[C@]([H])1c(c2)ccc(O)c2
M END
