Mol:FL3FABCS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.7505 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7505 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0360 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0360 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0360 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0360 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7505 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7505 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6070 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6070 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1074 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1074 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1074 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1074 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6070 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6070 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7531 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7531 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6070 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6070 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0360 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0360 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5322 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5322 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2467 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2467 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9611 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9611 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9611 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9611 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2467 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2467 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5322 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5322 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5764 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5764 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8022 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8022 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3195 -1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3195 -1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5464 -0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5464 -0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7340 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7340 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2167 -0.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2167 -0.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9899 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9899 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5343 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5343 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0739 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0739 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2097 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2097 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0705 -0.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0705 -0.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0643 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0643 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2343 1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2343 1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6841 -1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6841 -1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1537 -1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1537 -1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4038 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4038 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5830 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5830 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1133 -0.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1133 -0.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8633 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8633 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7618 -1.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7618 -1.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7424 -1.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7424 -1.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2343 -1.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2343 -1.5716 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 9 1 0 0 0 0 | + | 24 9 1 0 0 0 0 |
| − | 20 32 1 0 0 0 0 | + | 20 32 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 36 30 1 0 0 0 0 | + | 36 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABCS0009 | + | ID FL3FABCS0009 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES c(O)(c3C(O5)C(O)C(C(C5CO)O)OC(C(O)4)OCC(O)C4O)c(C(=O)1)c(cc3O)OC(c(c2)ccc(c2)OC)=C1 | + | SMILES c(O)(c3C(O5)C(O)C(C(C5CO)O)OC(C(O)4)OCC(O)C4O)c(C(=O)1)c(cc3O)OC(c(c2)ccc(c2)OC)=C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
2.7505 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7505 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1074 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1074 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7531 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5322 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2467 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2467 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5322 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5764 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8022 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3195 -1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5464 -0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7340 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -0.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9899 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5343 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2097 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0705 -0.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0643 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2343 1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6841 -1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1537 -1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4038 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5830 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1133 -0.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8633 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7618 -1.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7424 -1.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2343 -1.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 9 1 0 0 0 0
20 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
33 41 1 0 0 0 0
36 30 1 0 0 0 0
S SKP 5
ID FL3FABCS0009
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(O)(c3C(O5)C(O)C(C(C5CO)O)OC(C(O)4)OCC(O)C4O)c(C(=O)1)c(cc3O)OC(c(c2)ccc(c2)OC)=C1
M END
