Mol:FL3FADCS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8768 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8768 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8768 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8768 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1770 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1770 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4773 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4773 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4773 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4773 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1770 -0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1770 -0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2225 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2225 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9223 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9223 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9223 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9223 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2225 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2225 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2225 -2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2225 -2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1770 -2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1770 -2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7775 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5151 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5151 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2525 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2525 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2525 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2525 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5151 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5151 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7775 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5104 0.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5104 0.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4844 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4844 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8954 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8954 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1810 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1810 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4077 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4077 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1810 1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1810 1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8954 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8954 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6688 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6688 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6757 2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6757 2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1810 2.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1810 2.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1211 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1211 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9022 0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9022 0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8734 1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8734 1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6654 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6654 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5104 1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5104 1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6654 2.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6654 2.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8835 1.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8835 1.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4493 2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4493 2.8429 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 17 35 1 0 0 0 0 | + | 17 35 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 35 36 | + | M SAL 1 2 35 36 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 39 -0.3684 -0.7317 | + | M SBV 1 39 -0.3684 -0.7317 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADCS0004 | + | ID FL3FADCS0004 |
| − | FORMULA C24H24O12 | + | FORMULA C24H24O12 |
| − | EXACTMASS 504.126776232 | + | EXACTMASS 504.126776232 |
| − | AVERAGEMASS 504.44016 | + | AVERAGEMASS 504.44016 |
| − | SMILES C(C(C(O)1)OC(c(c2O)c(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)OC)c(O)c2)C(O)C1O)OC(C)=O | + | SMILES C(C(C(O)1)OC(c(c2O)c(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)OC)c(O)c2)C(O)C1O)OC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.8768 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8768 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1770 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1770 -0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 -2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1770 -2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2525 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2525 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5104 0.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4844 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8954 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1810 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4077 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1810 1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8954 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6688 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6757 2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1810 2.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1211 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8734 1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6654 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5104 1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6654 2.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8835 1.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4493 2.8429 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
23 30 1 0 0 0 0
22 6 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
35 36 1 0 0 0 0
17 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 39
M SMT 1 OCH3
M SBV 1 39 -0.3684 -0.7317
S SKP 5
ID FL3FADCS0004
FORMULA C24H24O12
EXACTMASS 504.126776232
AVERAGEMASS 504.44016
SMILES C(C(C(O)1)OC(c(c2O)c(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)OC)c(O)c2)C(O)C1O)OC(C)=O
M END
