Mol:FL4DAGNS0002
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 |
| − | -2.4888 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4888 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7762 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7762 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4856 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4856 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7689 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7689 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0562 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0562 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0599 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0599 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3399 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3399 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3691 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3691 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3472 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3472 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0228 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0228 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7389 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7389 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4518 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4518 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4486 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4486 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7325 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7325 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0196 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0196 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3389 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3389 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7689 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7689 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1066 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1066 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9505 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9505 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0357 -0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0357 -0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1066 1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1066 1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7325 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7325 2.1216 0.0000 O 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAGNS0002 | + | ID FL4DAGNS0002 |
| − | KNApSAcK_ID C00014369 | + | KNApSAcK_ID C00014369 |
| − | NAME Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone | + | NAME Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone |
| − | CAS_RN 119439-94-0 | + | CAS_RN 119439-94-0 |
| − | FORMULA C15H12O8 | + | FORMULA C15H12O8 |
| − | EXACTMASS 320.05321735999996 | + | EXACTMASS 320.05321735999996 |
| − | AVERAGEMASS 320.25098 | + | AVERAGEMASS 320.25098 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c(O)2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c(O)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/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.4888 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7762 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7689 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0562 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0599 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3691 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3472 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0228 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7389 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4518 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4486 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7325 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3389 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7689 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1066 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9505 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0357 -0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1066 1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7325 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 6 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
S SKP 8
ID FL4DAGNS0002
KNApSAcK_ID C00014369
NAME Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone
CAS_RN 119439-94-0
FORMULA C15H12O8
EXACTMASS 320.05321735999996
AVERAGEMASS 320.25098
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c(O)2
M END
