Mol:FL5FEAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5198 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5198 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5198 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5198 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8185 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8185 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1173 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1173 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1173 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1173 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8185 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8185 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4160 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4160 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7147 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7147 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7147 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7147 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4160 0.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4160 0.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4160 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4160 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7010 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7010 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4158 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4158 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4158 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4158 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7010 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7010 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2545 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2545 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0817 -1.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0817 -1.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3995 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3995 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9108 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9108 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8506 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8506 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7960 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7960 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2847 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2847 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3450 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3450 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4830 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4830 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7257 -0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7257 -0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9314 -0.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9314 -0.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1303 1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1303 1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8185 -1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8185 -1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7345 -1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7345 -1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2545 -0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2545 -0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2545 -1.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2545 -1.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2158 -0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2158 -0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3152 -1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3152 -1.4581 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 |
| − | 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 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 -0.9385 -0.2351 | + | M SBV 1 36 -0.9385 -0.2351 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 38 0.6960 0.4018 | + | M SBV 2 38 0.6960 0.4018 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0007 | + | ID FL5FEAGS0007 |
| − | FORMULA C22H20O13 | + | FORMULA C22H20O13 |
| − | EXACTMASS 492.090390726 | + | EXACTMASS 492.090390726 |
| − | AVERAGEMASS 492.3864 | + | AVERAGEMASS 492.3864 |
| − | SMILES c(c1)(ccc(C(O3)=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)C(=O)c(c32)c(c(OC)c(c2)O)O)c1)O | + | SMILES c(c1)(ccc(C(O3)=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)C(=O)c(c32)c(c(OC)c(c2)O)O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-3.5198 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5198 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1173 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1173 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4160 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4160 0.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4160 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7010 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4158 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4158 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7010 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2545 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0817 -1.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3995 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9108 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8506 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7960 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2847 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3450 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7257 -0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9314 -0.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1303 1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 -1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7345 -1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2545 -0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2545 -1.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2158 -0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3152 -1.4581 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
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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
23 31 1 0 0 0 0
34 35 1 0 0 0 0
2 34 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 -0.9385 -0.2351
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 38
M SMT 2 ^OCH3
M SBV 2 38 0.6960 0.4018
S SKP 5
ID FL5FEAGS0007
FORMULA C22H20O13
EXACTMASS 492.090390726
AVERAGEMASS 492.3864
SMILES c(c1)(ccc(C(O3)=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)C(=O)c(c32)c(c(OC)c(c2)O)O)c1)O
M END
