Mol:FL3FF9GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1112 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1112 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1112 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1112 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5899 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5899 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2910 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2910 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2910 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2910 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5899 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5899 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9921 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9921 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6932 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6932 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6932 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6932 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9921 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9921 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9921 -1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9921 -1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3941 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3941 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1087 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1087 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8232 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8232 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8232 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8232 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1087 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1087 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3941 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3941 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8121 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8121 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5899 -1.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5899 -1.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0693 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0693 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4195 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4195 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4837 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4837 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5808 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5808 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2369 0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2369 0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0556 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0556 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8232 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8232 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2455 -0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2455 -0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6575 -0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6575 -0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5899 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5899 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6917 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6917 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7314 0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7314 0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1718 1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1718 1.8988 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 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 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 3 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^COOH | + | M SMT 1 ^COOH |
| − | M SBV 1 35 0.6360 -0.7455 | + | M SBV 1 35 0.6360 -0.7455 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF9GS0001 | + | ID FL3FF9GS0001 |
| − | FORMULA C21H18O11 | + | FORMULA C21H18O11 |
| − | EXACTMASS 446.084911418 | + | EXACTMASS 446.084911418 |
| − | AVERAGEMASS 446.36102 | + | AVERAGEMASS 446.36102 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(=C3)c(c2)cccc2)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(=C3)c(c2)cccc2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.1112 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1112 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 -1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1087 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8232 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8232 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1087 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8121 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -1.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0693 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4195 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5808 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2369 0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0556 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8232 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2455 -0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6575 -0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6917 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7314 0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1718 1.8988 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 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
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 18 1 0 0 0 0
6 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
25 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^COOH
M SBV 1 35 0.6360 -0.7455
S SKP 5
ID FL3FF9GS0001
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(=C3)c(c2)cccc2)O)O
M END
