Mol:FL5FADGS0009
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 |
| − | -1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4612 2.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4612 2.8134 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 0.0059 -0.7385 | + | M SBV 1 36 0.0059 -0.7385 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0009 | + | ID FL5FADGS0009 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C | + | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C |
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
-1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4612 2.8134 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 18 1 0 0 0 0
32 33 1 0 0 0 0
16 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 OCH3
M SBV 1 36 0.0059 -0.7385
S SKP 5
ID FL5FADGS0009
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C
M END
