Mol:FL1C19NF0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0437 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0437 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0437 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0437 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4874 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4874 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0689 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0689 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0689 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0689 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4874 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4874 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6252 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6252 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1815 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1815 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7376 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2937 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2937 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8547 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8547 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4157 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4157 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4157 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4157 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8547 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8547 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6252 -0.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6252 -0.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4874 -0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4874 -0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6547 0.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6547 0.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0322 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0322 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6547 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6547 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6744 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6744 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9954 -0.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9954 -0.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9954 0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9954 0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4157 0.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4157 0.3171 0.0000 O 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 |
| − | 17 3 1 0 0 0 0 | + | 17 3 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C19NF0005 | + | ID FL1C19NF0005 |
| − | KNApSAcK_ID C00007049 | + | KNApSAcK_ID C00007049 |
| − | NAME Flemistrictin B | + | NAME Flemistrictin B |
| − | CAS_RN 61235-35-6 | + | CAS_RN 61235-35-6 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES c(c(O)3)(ccc(c32)OC(C(C)(C)O)C2)C(=O)C=Cc(c1)cccc1 | + | SMILES c(c(O)3)(ccc(c32)OC(C(C)(C)O)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.0437 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0437 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4874 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4874 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6252 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4157 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4157 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6252 -0.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4874 -0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6547 0.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0322 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6547 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6744 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9954 -0.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9954 0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4157 0.3171 0.0000 O 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
17 3 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FL1C19NF0005
KNApSAcK_ID C00007049
NAME Flemistrictin B
CAS_RN 61235-35-6
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES c(c(O)3)(ccc(c32)OC(C(C)(C)O)C2)C(=O)C=Cc(c1)cccc1
M END
