Mol:FL3FACGM0001
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 |
| − | -1.5148 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5148 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5148 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5148 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8137 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8137 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1125 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1125 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1125 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1125 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8137 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8137 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5884 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5884 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2895 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2895 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2895 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2895 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5884 1.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5884 1.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5884 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5884 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9903 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9903 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7048 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7048 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4193 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4193 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4193 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4193 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7048 2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7048 2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9903 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9903 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8137 -0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8137 -0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1337 2.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1337 2.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2316 1.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2316 1.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9891 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9891 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7048 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7048 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9669 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9669 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5693 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5693 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4108 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4108 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2451 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2451 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6425 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6425 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8012 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8012 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8768 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8768 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1337 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1337 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1074 -3.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1074 -3.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2451 -3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2451 -3.7508 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 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 |
| − | 25 26 1 1 0 0 0 | + | 25 26 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 |
| − | 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGM0001 | + | ID FL3FACGM0001 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES c(c3)(cc(O1)c(c3OC(O4)C(C(C(O)C4C)O)O)C(C(C)=C(c(c2)ccc(c2O)O)1)=O)O | + | SMILES c(c3)(cc(O1)c(c3OC(O4)C(C(C(O)C4C)O)O)C(C(C)=C(c(c2)ccc(c2O)O)1)=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
-1.5148 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5148 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2895 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2895 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 1.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4193 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4193 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8137 -0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1337 2.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2316 1.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9891 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7048 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9669 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5693 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6425 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8012 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1337 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1074 -3.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 -3.7508 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 1 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL3FACGM0001
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c3)(cc(O1)c(c3OC(O4)C(C(C(O)C4C)O)O)C(C(C)=C(c(c2)ccc(c2O)O)1)=O)O
M END
