Mol:FL3FEAGS0033
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 |
| − | -3.9720 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9720 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9720 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9720 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2710 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2710 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5701 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5701 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5701 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5701 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2710 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2710 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8691 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8691 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1682 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1682 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1682 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1682 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8691 0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8691 0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8691 -2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8691 -2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4674 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4674 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2471 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2471 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9615 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9615 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9615 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9615 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2471 1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2471 1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4674 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4674 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2710 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2710 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6758 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6758 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0228 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0228 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6011 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6011 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4120 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4120 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2279 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2279 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6496 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6496 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8387 1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8387 1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1791 1.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1791 1.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4215 2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4215 2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3246 1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3246 1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5033 -1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5033 -1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0316 -1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0316 -1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5946 0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5946 0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3715 1.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3715 1.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2965 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2965 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0316 0.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0316 0.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8478 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8478 0.4001 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 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 |
| − | 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 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 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 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.5313 0.3067 | + | M SBV 1 33 0.5313 0.3067 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 35 0.6226 -0.3595 | + | M SBV 2 35 0.6226 -0.3595 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 3 33 34 35 | + | M SAL 3 3 33 34 35 |
| − | M SBL 3 1 38 | + | M SBL 3 1 38 |
| − | M SMT 3 COOH | + | M SMT 3 COOH |
| − | M SBV 3 38 -1.0686 -0.0921 | + | M SBV 3 38 -1.0686 -0.0921 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0033 | + | ID FL3FEAGS0033 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(OC(O2)C(O)C(C(O)C2C(O)=O)O)c1 | + | SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(OC(O2)C(O)C(C(O)C2C(O)=O)O)c1 |
M END | M END | ||
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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
-3.9720 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9720 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2710 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5701 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5701 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2710 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8691 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1682 -1.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1682 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8691 0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8691 -2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4674 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2471 -0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9615 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9615 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2471 1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4674 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2710 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6758 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0228 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6011 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2279 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6496 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8387 1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1791 1.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4215 2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3246 1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5033 -1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0316 -1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5946 0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3715 1.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2965 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0316 0.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8478 0.4001 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 21 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 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
29 30 1 0 0 0 0
2 29 1 0 0 0 0
31 32 1 0 0 0 0
1 31 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
23 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.5313 0.3067
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 ^ OCH3
M SBV 2 35 0.6226 -0.3595
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 33 34 35
M SBL 3 1 38
M SMT 3 COOH
M SBV 3 38 -1.0686 -0.0921
S SKP 5
ID FL3FEAGS0033
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(OC(O2)C(O)C(C(O)C2C(O)=O)O)c1
M END
