Mol:FL1C1ANI0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7463 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7463 1.9204 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0014 | + | ID FL1C1ANI0014 |
| − | KNApSAcK_ID C00007095 | + | KNApSAcK_ID C00007095 |
| − | NAME Broussochalcone A | + | NAME Broussochalcone A |
| − | CAS_RN 99217-68-2 | + | CAS_RN 99217-68-2 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1 | + | SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7463 1.9204 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
5 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
4 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL1C1ANI0014
KNApSAcK_ID C00007095
NAME Broussochalcone A
CAS_RN 99217-68-2
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1
M END
