Mol:FL3FALGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6846 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6846 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6846 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6846 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0299 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0299 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7443 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7443 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7443 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7443 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0299 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0299 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3991 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3991 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1136 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1136 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8280 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8280 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8280 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8280 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1136 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1136 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3991 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3991 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5425 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5425 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2570 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2570 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2570 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2570 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5425 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5425 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1136 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1136 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9714 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9714 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5425 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5425 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0299 -0.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0299 -0.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2762 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2762 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0299 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0299 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5693 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5693 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8055 0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8055 0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5713 0.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5713 0.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0738 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0738 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8376 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8376 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0719 0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0719 0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9242 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9242 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2192 -0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2192 -0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8466 1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8466 1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9821 -0.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9821 -0.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9714 -0.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9714 -0.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3612 -1.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3612 -1.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 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 32 33 34 | + | M SAL 1 3 32 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 37 -0.9083 0.5244 | + | M SBV 1 37 -0.9083 0.5244 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FALGS0007 | + | ID FL3FALGS0007 |
| − | FORMULA C21H18O13 | + | FORMULA C21H18O13 |
| − | EXACTMASS 478.07474066199995 | + | EXACTMASS 478.07474066199995 |
| − | AVERAGEMASS 478.35982 | + | AVERAGEMASS 478.35982 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c(O)2)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c(O)2)O1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.6846 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6846 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0299 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7443 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7443 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0299 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3991 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8280 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8280 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3991 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5425 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2570 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2570 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5425 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9714 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5425 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0299 -0.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2762 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0299 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5693 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 0.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0738 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8376 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0719 0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9242 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2192 -0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8466 1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9821 -0.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9714 -0.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3612 -1.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
5 21 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
23 31 1 0 0 0 0
24 21 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
26 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -0.9083 0.5244
S SKP 5
ID FL3FALGS0007
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c(O)2)O1)O)O
M END
