Mol:FL3FE9GS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.9305 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9305 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9305 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9305 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3816 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3816 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8326 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8326 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8326 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8326 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3816 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3816 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2837 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2837 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7347 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7347 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7347 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7347 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2837 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2837 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2837 -1.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2837 -1.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1856 -0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1856 -0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6454 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6454 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1051 -0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1051 -0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1051 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1051 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6454 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6454 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1856 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1856 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3816 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3816 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4692 -0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4692 -0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2622 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2622 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7466 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7466 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0041 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0041 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2876 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2876 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8082 -0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8082 -0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4578 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4578 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9760 -0.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9760 -0.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5504 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5504 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5786 -1.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5786 -1.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0955 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0955 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0955 0.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0955 0.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5795 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1099 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1099 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6195 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6195 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1051 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1051 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6195 1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6195 1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5795 1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4446 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4446 -1.2188 0.0000 O 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 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 31 36 2 0 0 0 0 | + | 31 36 2 0 0 0 0 |
| − | 2 37 1 0 0 0 0 | + | 2 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE9GS0009 | + | ID FL3FE9GS0009 |
| − | KNApSAcK_ID C00004481 | + | KNApSAcK_ID C00004481 |
| − | NAME 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) | + | NAME 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C24H22O13 | + | FORMULA C24H22O13 |
| − | EXACTMASS 518.10604079 | + | EXACTMASS 518.10604079 |
| − | AVERAGEMASS 518.42368 | + | AVERAGEMASS 518.42368 |
| − | SMILES O=C(C=3)c(c(OC3c(c4)cccc4)2)c(c(O)c(c2)OC(O1)C(C(O)C(O)C1COC(=O)CC(O)=O)O)O | + | SMILES O=C(C=3)c(c(OC3c(c4)cccc4)2)c(c(O)c(c2)OC(O1)C(C(O)C(O)C1COC(=O)CC(O)=O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
0.9305 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9305 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3816 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8326 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8326 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3816 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2837 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7347 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7347 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2837 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2837 -1.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1856 -0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6454 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1051 -0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1051 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6454 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1856 0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3816 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4692 -0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7466 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0041 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8082 -0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4578 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9760 -0.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5504 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5786 -1.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0955 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0955 0.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1099 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6195 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1051 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6195 1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4446 -1.2188 0.0000 O 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
19 1 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
31 36 2 0 0 0 0
2 37 1 0 0 0 0
S SKP 8
ID FL3FE9GS0009
KNApSAcK_ID C00004481
NAME 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)
CAS_RN -
FORMULA C24H22O13
EXACTMASS 518.10604079
AVERAGEMASS 518.42368
SMILES O=C(C=3)c(c(OC3c(c4)cccc4)2)c(c(O)c(c2)OC(O1)C(C(O)C(O)C1COC(=O)CC(O)=O)O)O
M END
