Mol:FL4DACGS0007
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 |
| − | -3.4333 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4333 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7190 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7190 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0048 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0048 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0048 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0048 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7190 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7190 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4333 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4333 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2905 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2905 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5762 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5762 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5762 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5762 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2905 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2905 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2905 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2905 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9436 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9436 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9436 1.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9436 1.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0512 0.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0512 0.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0658 -1.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0658 -1.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3936 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3936 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7190 -2.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7190 -2.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9436 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9436 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1826 -1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1826 -1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7701 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7701 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5634 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5634 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3615 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3615 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9932 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9932 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9807 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9807 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5210 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5210 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5562 -0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5562 -0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5973 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5973 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0716 -1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0716 -1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0512 -2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0512 -2.2901 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 36 -0.7101 -0.1631 | + | M SBV 1 36 -0.7101 -0.1631 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0007 | + | ID FL4DACGS0007 |
| − | FORMULA C21H22O12 | + | FORMULA C21H22O12 |
| − | EXACTMASS 466.111126168 | + | EXACTMASS 466.111126168 |
| − | AVERAGEMASS 466.39218 | + | AVERAGEMASS 466.39218 |
| − | SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O |
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
-3.4333 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7190 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7190 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4333 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 1.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0512 0.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0658 -1.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3936 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7190 -2.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1826 -1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7701 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5634 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9807 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5562 -0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5973 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0716 -1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0512 -2.2901 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 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
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 19 1 0 0 0 0
32 33 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 2 32 33
M SBL 1 1 36
M SMT 1 CH2OH
M SBV 1 36 -0.7101 -0.1631
S SKP 5
ID FL4DACGS0007
FORMULA C21H22O12
EXACTMASS 466.111126168
AVERAGEMASS 466.39218
SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M END
