Mol:FL4DAGNM0002
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 |
| − | -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3632 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3632 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.6082 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAGNM0002 | + | ID FL4DAGNM0002 |
| − | KNApSAcK_ID C00008597 | + | KNApSAcK_ID C00008597 |
| − | NAME 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone | + | NAME 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone |
| − | CAS_RN 101467-71-4 | + | CAS_RN 101467-71-4 |
| − | FORMULA C17H16O8 | + | FORMULA C17H16O8 |
| − | EXACTMASS 348.08451748799996 | + | EXACTMASS 348.08451748799996 |
| − | AVERAGEMASS 348.30413999999996 | + | AVERAGEMASS 348.30413999999996 |
| − | SMILES Oc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c2c(C)c(O)c(C)3 | + | SMILES Oc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c2c(C)c(O)c(C)3 |
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
-1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.6082 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
2 19 1 0 0 0 0
8 20 1 1 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
1 23 1 0 0 0 0
14 24 1 0 0 0 0
5 25 1 0 0 0 0
S SKP 8
ID FL4DAGNM0002
KNApSAcK_ID C00008597
NAME 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
CAS_RN 101467-71-4
FORMULA C17H16O8
EXACTMASS 348.08451748799996
AVERAGEMASS 348.30413999999996
SMILES Oc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c2c(C)c(O)c(C)3
M END
