Mol:FL3FBANS0001
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 |
| − | -1.9630 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.4198 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -4.8497 2.6375 | + | M SBV 1 22 -4.8497 2.6375 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FBANS0001 | + | ID FL3FBANS0001 |
| − | KNApSAcK_ID C00003819 | + | KNApSAcK_ID C00003819 |
| − | NAME Thevetiaflavone | + | NAME Thevetiaflavone |
| − | CAS_RN 29376-68-9 | + | CAS_RN 29376-68-9 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)ccc(O)c1 |
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
-1.9630 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.4198 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -4.8497 2.6375
S SKP 8
ID FL3FBANS0001
KNApSAcK_ID C00003819
NAME Thevetiaflavone
CAS_RN 29376-68-9
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)ccc(O)c1
M END
