Mol:FL3FACGS0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4205 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4205 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4205 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4205 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7194 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7194 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0183 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0183 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0183 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0183 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7194 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7194 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3837 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3837 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3837 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3837 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3160 -3.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3160 -3.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0845 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0845 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7990 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7990 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5135 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5135 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5135 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5135 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7990 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7990 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0845 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0845 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2280 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2280 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7194 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7194 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2280 0.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2280 0.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0997 2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0997 2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2819 1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2819 1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5569 1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5569 1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0134 0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0134 0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2070 1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2070 1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3745 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3745 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4971 3.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4971 3.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6893 2.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6893 2.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5569 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5569 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7894 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7894 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4318 2.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4318 2.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0170 3.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0170 3.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3293 2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3293 2.7597 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 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 31 32 33 | + | M SAL 1 3 31 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 36 -0.0573 -0.6588 | + | M SBV 1 36 -0.0573 -0.6588 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0016 | + | ID FL3FACGS0016 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)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/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.4205 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4205 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7194 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0183 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0183 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7194 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3160 -3.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0845 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7990 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7990 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0845 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2280 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7194 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2280 0.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0997 2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2819 1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5569 1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0134 0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2070 1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3745 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4971 3.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 2.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5569 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4318 2.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0170 3.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3293 2.7597 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
16 30 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
26 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 31 32 33
M SBL 1 1 36
M SMT 1 COOH
M SBV 1 36 -0.0573 -0.6588
S SKP 5
ID FL3FACGS0016
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O1)O)O
M END
