Mol:FL4DAHNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7070 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7070 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9944 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9944 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7038 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7038 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9871 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9871 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2744 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2744 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2781 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2781 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5581 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5581 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1545 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1545 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1509 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1509 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5654 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5654 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8046 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8046 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5207 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5207 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2336 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2336 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2304 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2304 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5143 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5143 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8014 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8014 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5571 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5571 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9871 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9871 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3248 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3248 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7323 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7323 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5143 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5143 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8988 1.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8988 1.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8256 -0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8256 -0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3248 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3248 0.1662 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 |
| − | 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 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 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAHNS0001 | + | ID FL4DAHNS0001 |
| − | KNApSAcK_ID C00014371 | + | KNApSAcK_ID C00014371 |
| − | NAME Hovenitin I;(2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone | + | NAME Hovenitin I;(2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone |
| − | CAS_RN 71106-82-6 | + | CAS_RN 71106-82-6 |
| − | FORMULA C16H14O8 | + | FORMULA C16H14O8 |
| − | EXACTMASS 334.068867424 | + | EXACTMASS 334.068867424 |
| − | AVERAGEMASS 334.27756 | + | AVERAGEMASS 334.27756 |
| − | SMILES COc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c(cc(O)c3)2 | + | SMILES COc(c1)c(O)c(O)cc1C(O2)C(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/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.7070 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9944 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7038 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9871 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2781 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1545 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1509 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2304 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8014 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5571 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9871 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3248 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7323 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8988 1.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8256 -0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3248 0.1662 0.0000 C 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 1 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL4DAHNS0001
KNApSAcK_ID C00014371
NAME Hovenitin I;(2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
CAS_RN 71106-82-6
FORMULA C16H14O8
EXACTMASS 334.068867424
AVERAGEMASS 334.27756
SMILES COc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c(cc(O)c3)2
M END
