Mol:FL2FA9GM0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.7925 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7925 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5051 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5051 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7956 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7956 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5124 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5124 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2250 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2250 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2214 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2214 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9413 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9413 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6540 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6540 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6503 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6503 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9340 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9340 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3041 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3041 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0201 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0201 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7330 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7330 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7298 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7298 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0138 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0138 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3009 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3009 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9424 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9424 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1302 0.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1302 0.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5124 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5124 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0985 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0985 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3413 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3413 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9287 -0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9287 -0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1303 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1303 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3369 -0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3369 -0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7494 0.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7494 0.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6619 -0.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6619 -0.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5923 -0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5923 -0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9391 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9391 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0473 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0473 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6347 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6347 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8363 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8363 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0429 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0429 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4554 -0.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4554 -0.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2538 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2538 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3095 -1.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3095 -1.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2025 -0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2025 -0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7330 -0.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7330 -0.4192 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 |
| − | 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GM0003 | + | ID FL2FA9GM0003 |
| − | FORMULA C26H30O12 | + | FORMULA C26H30O12 |
| − | EXACTMASS 534.173726424 | + | EXACTMASS 534.173726424 |
| − | AVERAGEMASS 534.5092 | + | AVERAGEMASS 534.5092 |
| − | SMILES C(C1O)(OC(C5O)OCC(C5O)O)C(O)COC(Oc(c(C)4)cc(c3c4O)OC(CC3=O)c(c2)cccc2)1 | + | SMILES C(C1O)(OC(C5O)OCC(C5O)O)C(O)COC(Oc(c(C)4)cc(c3c4O)OC(CC3=O)c(c2)cccc2)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/
38 42 0 0 0 0 0 0 0 0999 V2000
0.7925 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5051 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7956 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2250 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2214 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9413 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6540 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6503 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3041 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0201 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7330 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7298 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0138 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3009 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9424 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1302 0.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0985 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3413 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 -0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1303 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3369 -0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7494 0.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6619 -0.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5923 -0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9391 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0473 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6347 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8363 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0429 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4554 -0.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2538 -0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3095 -1.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2025 -0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7330 -0.4192 0.0000 O 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 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
1 18 1 0 0 0 0
4 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
30 38 1 0 0 0 0
24 18 1 0 0 0 0
33 28 1 0 0 0 0
S SKP 5
ID FL2FA9GM0003
FORMULA C26H30O12
EXACTMASS 534.173726424
AVERAGEMASS 534.5092
SMILES C(C1O)(OC(C5O)OCC(C5O)O)C(O)COC(Oc(c(C)4)cc(c3c4O)OC(CC3=O)c(c2)cccc2)1
M END
