Mol:FL2FABNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.1291 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1291 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1291 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1291 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6277 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6277 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6277 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6277 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3728 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3728 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4015 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4015 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4015 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4015 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3728 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3728 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6292 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6292 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6277 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6277 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9148 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9148 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6292 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6292 0.8988 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 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 SBV 1 23 -6.7371 4.3886 | + | M SBV 1 23 -6.7371 4.3886 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNS0001 | + | ID FL2FABNS0001 |
| − | KNApSAcK_ID C00000973 | + | KNApSAcK_ID C00000973 |
| − | NAME Isosakuranetin | + | NAME Isosakuranetin |
| − | CAS_RN 480-43-3 | + | CAS_RN 480-43-3 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 |
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
-2.1291 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1291 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9148 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 0.8988 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
7 20 2 0 0 0 0
14 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 SBV 1 23 -6.7371 4.3886
S SKP 8
ID FL2FABNS0001
KNApSAcK_ID C00000973
NAME Isosakuranetin
CAS_RN 480-43-3
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
