Mol:FL3FAACS0066
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 |
| − | 2.4415 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4415 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4415 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4415 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8705 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8705 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8705 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8705 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6878 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6878 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9734 -0.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9734 -0.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2589 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2589 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2589 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2589 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9734 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9734 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6878 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6878 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4556 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4556 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4556 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4556 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8889 -0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8889 -0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4556 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4556 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9734 -2.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9734 -2.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8672 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8672 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2985 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2985 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5714 -1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5714 -1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7469 -1.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7469 -1.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3155 -1.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3155 -1.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0426 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0426 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3326 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3326 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8640 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8640 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4733 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4733 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8574 -2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8574 -2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0897 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0897 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4733 1.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4733 1.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5725 1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5725 1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1267 1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1267 1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8343 0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8343 0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8542 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8542 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8262 0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8262 0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3182 2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3182 2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2686 0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2686 0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8221 1.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8221 1.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7053 2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7053 2.4700 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 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 |
| − | 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 38 32 1 1 0 0 0 | + | 38 32 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 1 0 0 0 | + | 36 38 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 39 36 1 0 0 0 0 | + | 39 36 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 13 36 1 0 0 0 0 | + | 13 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0066 | + | ID FL3FAACS0066 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C(C1O)OC(c(c(O)3)c(c(c(O4)c3C(C=C4c(c5)ccc(O)c5)=O)C(O2)C(O)C(CO)(C2)O)O)C(C1O)O)O | + | SMILES C(C(C1O)OC(c(c(O)3)c(c(c(O4)c3C(C=C4c(c5)ccc(O)c5)=O)C(O2)C(O)C(CO)(C2)O)O)C(C1O)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/
40 44 0 0 0 0 0 0 0 0999 V2000
2.4415 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4415 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9734 -0.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2589 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2589 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9734 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4556 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4556 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8889 -0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4556 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9734 -2.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8672 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2985 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5714 -1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7469 -1.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3155 -1.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0426 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3326 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8640 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4733 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8574 -2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0897 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4733 1.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1267 1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8343 0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8542 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8262 0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3182 2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2686 0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 1.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7053 2.4700 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
5 31 1 0 0 0 0
23 15 1 0 0 0 0
38 32 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 1 0 0 0
32 33 1 0 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
35 40 1 0 0 0 0
37 39 1 0 0 0 0
32 35 1 0 0 0 0
13 36 1 0 0 0 0
S SKP 5
ID FL3FAACS0066
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C(C1O)OC(c(c(O)3)c(c(c(O4)c3C(C=C4c(c5)ccc(O)c5)=O)C(O2)C(O)C(CO)(C2)O)O)C(C1O)O)O
M END
