Mol:FL3FF8NS0014
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 |
| − | -1.9630 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0388 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0388 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6920 1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6920 1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 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 -1.1286 0.8998 | + | M SVB 2 26 -1.1286 0.8998 |
| − | 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 0.4611 1.6001 | + | M SVB 1 24 0.4611 1.6001 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF8NS0014 | + | ID FL3FF8NS0014 |
| − | KNApSAcK_ID C00003955 | + | KNApSAcK_ID C00003955 |
| − | NAME 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone | + | NAME 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| − | CAS_RN 101909-89-1 | + | CAS_RN 101909-89-1 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c3)c(c(O)c(O)c3)C(=C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c3)c(c(O)c(O)c3)C(=C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6920 1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
14 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
6 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 -1.1286 0.8998
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 0.4611 1.6001
S SKP 8
ID FL3FF8NS0014
KNApSAcK_ID C00003955
NAME 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone
CAS_RN 101909-89-1
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c3)c(c(O)c(O)c3)C(=C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1
M END
