Mol:FL1C99NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 19 0 0 0 0 0 0 0 0999 V2000 | + | 18 19 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0511 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0511 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9385 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9385 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4948 0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1741 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1741 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7302 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7302 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2863 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4083 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4083 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2863 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4083 1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4083 1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9083 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9083 1.9078 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 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 17 18 | + | M SAL 1 2 17 18 |
| − | M SBL 1 1 18 | + | M SBL 1 1 18 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 18 -2.4083 1.0418 | + | M SVB 1 18 -2.4083 1.0418 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C99NS0001 | + | ID FL1C99NS0001 |
| − | KNApSAcK_ID C00006917 | + | KNApSAcK_ID C00006917 |
| − | NAME 4'-Methoxychalcone | + | NAME 4'-Methoxychalcone |
| − | CAS_RN 22966-19-4 | + | CAS_RN 22966-19-4 |
| − | FORMULA C16H14O2 | + | FORMULA C16H14O2 |
| − | EXACTMASS 238.09937969199999 | + | EXACTMASS 238.09937969199999 |
| − | AVERAGEMASS 238.28116 | + | AVERAGEMASS 238.28116 |
| − | SMILES COc(c2)ccc(c2)C(=O)C=Cc(c1)cccc1 | + | SMILES COc(c2)ccc(c2)C(=O)C=Cc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
-2.0511 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0511 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4083 1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9083 1.9078 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 18
M SMT 1 OCH3
M SVB 1 18 -2.4083 1.0418
S SKP 8
ID FL1C99NS0001
KNApSAcK_ID C00006917
NAME 4'-Methoxychalcone
CAS_RN 22966-19-4
FORMULA C16H14O2
EXACTMASS 238.09937969199999
AVERAGEMASS 238.28116
SMILES COc(c2)ccc(c2)C(=O)C=Cc(c1)cccc1
M END
