Mol:FL3FACGS0081
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2964 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2964 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2964 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2964 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0109 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0109 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7254 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7254 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7254 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7254 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0109 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0109 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1543 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1543 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1543 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1543 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 0.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 0.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8688 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8688 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5833 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5833 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2977 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2977 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2977 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2977 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5833 1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5833 1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8688 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8688 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 -2.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 -2.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4232 0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4232 0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0109 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0109 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9206 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9206 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0035 -0.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0035 -0.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2244 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2244 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8118 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8118 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0134 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0134 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2200 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2200 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6325 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6325 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4309 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4309 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5879 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5879 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0677 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0677 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7076 -0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7076 -0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2605 -0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2605 -0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 -0.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 -0.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7822 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7822 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6070 2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6070 2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0035 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0035 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5752 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5752 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7504 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7504 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3539 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3539 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5291 1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5291 1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1326 2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1326 2.3492 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 |
| − | 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 29 39 1 0 0 0 0 | + | 29 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0081 | + | ID FL3FACGS0081 |
| − | KNApSAcK_ID C00013666 | + | KNApSAcK_ID C00013666 |
| − | NAME Luteolin 7-(6''-p-benzoyglucoside) | + | NAME Luteolin 7-(6''-p-benzoyglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C28H24O12 | + | FORMULA C28H24O12 |
| − | EXACTMASS 552.126776232 | + | EXACTMASS 552.126776232 |
| − | AVERAGEMASS 552.48296 | + | AVERAGEMASS 552.48296 |
| − | SMILES c(c1)ccc(C(OCC(O2)C(C(C(C2Oc(c5)cc(O3)c(c5O)C(C=C(c(c4)ccc(O)c4O)3)=O)O)O)O)=O)c1 | + | SMILES c(c1)ccc(C(OCC(O2)C(C(C(C2Oc(c5)cc(O3)c(c5O)C(C=C(c(c4)ccc(O)c4O)3)=O)O)O)O)=O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
0.2964 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2964 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0109 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0109 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1543 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1543 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 0.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8688 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5833 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2977 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2977 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5833 1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8688 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -2.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0109 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9206 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0035 -0.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2244 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8118 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0134 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6325 0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5879 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0677 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7076 -0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2605 -0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 -0.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7822 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6070 2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0035 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5752 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7504 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3539 1.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5291 1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1326 2.3492 0.0000 O 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
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
9 11 1 0 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
25 18 1 0 0 0 0
29 39 1 0 0 0 0
S SKP 8
ID FL3FACGS0081
KNApSAcK_ID C00013666
NAME Luteolin 7-(6''-p-benzoyglucoside)
CAS_RN -
FORMULA C28H24O12
EXACTMASS 552.126776232
AVERAGEMASS 552.48296
SMILES c(c1)ccc(C(OCC(O2)C(C(C(C2Oc(c5)cc(O3)c(c5O)C(C=C(c(c4)ccc(O)c4O)3)=O)O)O)O)=O)c1
M END
