Mol:FL4DAINS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0215 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5006 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5006 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9797 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9797 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9797 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9797 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5006 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5006 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4588 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4588 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0621 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0621 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0621 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.0621 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.4588 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4588 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5824 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5824 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4588 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4588 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1168 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1168 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6511 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6511 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6511 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6511 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1168 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1168 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5824 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5824 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5419 0.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5419 0.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6511 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6511 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5006 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5006 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5824 -1.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5824 -1.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3835 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3835 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8094 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8094 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5171 -0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5171 -0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3831 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3831 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 1.8274 -0.0505 | + | M SVB 2 26 1.8274 -0.0505 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 1.3835 1.6478 | + | M SVB 1 24 1.3835 1.6478 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAINS0001 | + | ID FL4DAINS0001 |
| − | KNApSAcK_ID C00008591 | + | KNApSAcK_ID C00008591 |
| − | NAME Dihydrosyringetin | + | NAME Dihydrosyringetin |
| − | CAS_RN 38690-67-4 | + | CAS_RN 38690-67-4 |
| − | FORMULA C17H16O8 | + | FORMULA C17H16O8 |
| − | EXACTMASS 348.08451748799996 | + | EXACTMASS 348.08451748799996 |
| − | AVERAGEMASS 348.30413999999996 | + | AVERAGEMASS 348.30413999999996 |
| − | SMILES COc(c1)c(O)c(OC)cc1[C@@H](O2)[C@@H](O)C(=O)c(c(O)3)c(cc(O)c3)2 | + | SMILES COc(c1)c(O)c(OC)cc1[C@@H](O2)[C@@H](O)C(=O)c(c(O)3)c(cc(O)c3)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0215 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4588 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0621 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4588 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5824 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4588 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6511 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6511 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5824 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5419 0.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6511 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5824 -1.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3835 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8094 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5171 -0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3831 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
8 21 1 1 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 1.8274 -0.0505
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.3835 1.6478
S SKP 8
ID FL4DAINS0001
KNApSAcK_ID C00008591
NAME Dihydrosyringetin
CAS_RN 38690-67-4
FORMULA C17H16O8
EXACTMASS 348.08451748799996
AVERAGEMASS 348.30413999999996
SMILES COc(c1)c(O)c(OC)cc1[C@@H](O2)[C@@H](O)C(=O)c(c(O)3)c(cc(O)c3)2
M END
