Mol:FL4DA8NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0215 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5006 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5006 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9797 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9797 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9797 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9797 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5006 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5006 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4588 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4588 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0621 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0621 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0621 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.0621 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.4588 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4588 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5824 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5824 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4588 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4588 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1168 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1168 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6511 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6511 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6511 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6511 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1168 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1168 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5824 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5824 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5419 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5419 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4934 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4934 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5006 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5006 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5171 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5171 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3831 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3831 -0.5610 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 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 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 1.8274 0.2327 | + | M SVB 1 24 1.8274 0.2327 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NS0003 | + | ID FL4DA8NS0003 |
| − | KNApSAcK_ID C00008572 | + | KNApSAcK_ID C00008572 |
| − | NAME 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone | + | NAME 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0215 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4588 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0621 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4588 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5824 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4588 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6511 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6511 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5824 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5419 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4934 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5171 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3831 -0.5610 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
8 19 1 1 0 0 0
2 20 1 0 0 0 0
17 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
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 1.8274 0.2327
S SKP 8
ID FL4DA8NS0003
KNApSAcK_ID C00008572
NAME 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
CAS_RN -
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c3)cc(c(O)c3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
