Mol:FL3FF8GS0004
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 |
| − | -3.8804 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8804 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8804 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8804 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1793 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1793 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4782 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4782 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4782 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4782 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1793 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1793 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7772 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7772 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0761 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0761 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0761 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0761 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7772 -0.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7772 -0.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5103 -2.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5103 -2.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3753 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3753 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3392 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3392 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0537 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0537 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0537 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0537 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3392 0.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3392 0.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3753 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3753 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1793 -2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1793 -2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4147 1.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4147 1.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0378 2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0378 2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4354 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4354 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5939 1.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5939 1.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7596 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7596 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3622 2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3622 2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2035 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2035 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1472 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1472 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9089 2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9089 2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1352 2.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1352 2.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0898 0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0898 0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7293 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7293 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3755 0.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3755 0.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8081 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8081 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1894 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1894 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4104 0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4104 0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1352 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1352 1.5431 0.0000 C 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 |
| − | 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 1 34 1 0 0 0 0 | + | 1 34 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -0.9696 -0.1680 | + | M SBV 1 34 -0.9696 -0.1680 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.3711 -0.8553 | + | M SBV 2 36 -0.3711 -0.8553 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 38 | + | M SBL 3 1 38 |
| − | M SMT 3 ^ OCH3 | + | M SMT 3 ^ OCH3 |
| − | M SBV 3 38 0.5300 -1.0053 | + | M SBV 3 38 0.5300 -1.0053 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF8GS0004 | + | ID FL3FF8GS0004 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)1)cccc(C(O3)=CC(=O)c(c32)c(O)cc(c2OC)OC)1 | + | SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)1)cccc(C(O3)=CC(=O)c(c32)c(O)cc(c2OC)OC)1 |
M END | M END | ||
| − | |||
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
-3.8804 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8804 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1793 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4782 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4782 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1793 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7772 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0761 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0761 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7772 -0.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5103 -2.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3753 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3392 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0537 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0537 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3392 0.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3753 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1793 -2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 1.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0378 2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4354 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5939 1.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7596 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3622 2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2035 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9089 2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1352 2.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0898 0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7293 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3755 0.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8081 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1894 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4104 0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1352 1.5431 0.0000 C 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
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
16 19 1 0 0 0 0
17 29 1 0 0 0 0
30 31 1 0 0 0 0
23 30 1 0 0 0 0
32 33 1 0 0 0 0
6 32 1 0 0 0 0
34 35 1 0 0 0 0
1 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.9696 -0.1680
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.3711 -0.8553
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 38
M SMT 3 ^ OCH3
M SBV 3 38 0.5300 -1.0053
S SKP 5
ID FL3FF8GS0004
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)1)cccc(C(O3)=CC(=O)c(c32)c(O)cc(c2OC)OC)1
M END
