Mol:FL2FACGM0001
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 |
| − | -0.8906 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8906 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8906 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8906 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1762 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1762 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1762 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1762 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2528 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2528 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9672 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9672 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9672 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9672 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2528 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2528 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6814 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6814 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4096 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4096 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1378 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1378 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1378 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1378 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4096 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4096 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6814 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6814 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2528 -2.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2528 -2.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1762 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1762 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6051 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6051 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4096 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4096 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9374 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9374 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4745 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4745 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3613 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3613 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9608 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9608 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1858 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1858 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4157 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4157 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8162 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8162 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5911 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5911 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9374 0.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9374 0.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5767 0.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5767 0.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9336 -0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9336 -0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0512 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0512 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0279 0.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0279 0.8190 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 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 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 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 0.4601 -0.4601 | + | M SBV 1 36 0.4601 -0.4601 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FACGM0001 | + | ID FL2FACGM0001 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES O=C(c31)CC(c(c4)ccc(c4O)O)Oc(cc(c(c(O)3)C)OC(C(O)2)OC(CO)C(C2O)O)1 | + | SMILES O=C(c31)CC(c(c4)ccc(c4O)O)Oc(cc(c(c(O)3)C)OC(C(O)2)OC(CO)C(C2O)O)1 |
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
-0.8906 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8906 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2528 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9672 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9672 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2528 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4096 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1378 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1378 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4096 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2528 -2.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6051 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4096 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9374 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4745 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3613 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9608 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1858 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4157 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5911 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9374 0.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5767 0.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9336 -0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0512 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0279 0.8190 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
21 14 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
19 26 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
32 33 1 0 0 0 0
28 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 0.4601 -0.4601
S SKP 5
ID FL2FACGM0001
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES O=C(c31)CC(c(c4)ccc(c4O)O)Oc(cc(c(c(O)3)C)OC(C(O)2)OC(CO)C(C2O)O)1
M END
