Mol:FLIA1ACS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9975 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9975 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9975 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9975 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2830 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2830 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4315 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4315 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4315 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4315 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2830 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2830 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1459 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1459 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8604 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8604 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8604 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8604 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1459 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1459 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1459 -2.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1459 -2.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7117 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7117 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9163 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9163 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1870 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1870 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4184 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4184 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1870 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1870 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9163 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9163 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6850 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6850 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7357 2.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7357 2.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1939 2.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1939 2.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1946 2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1946 2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0162 0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0162 0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6611 1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6611 1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5480 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5480 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2750 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2750 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0020 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0020 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0020 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0020 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2750 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2750 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5480 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5480 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7284 -2.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7284 -2.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1729 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1729 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6963 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6963 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0098 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0098 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3474 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3474 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8287 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8287 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4293 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4293 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7284 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7284 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2317 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2317 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3675 0.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3675 0.7392 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 14 13 1 1 0 0 0 | + | 14 13 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 13 1 1 0 0 0 | + | 18 13 1 1 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 23 1 0 0 0 0 | + | 34 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIA1ACS0005 | + | ID FLIA1ACS0005 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES c(c5)(c(c(c(O)c5)C(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C3O)1)C(C(c(c2)ccc(O)c2)=CO1)=O | + | SMILES c(c5)(c(c(c(O)c5)C(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C3O)1)C(C(c(c2)ccc(O)c2)=CO1)=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/
39 43 0 0 0 0 0 0 0 0999 V2000
-0.9975 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9975 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1459 -2.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7117 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9163 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4184 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9163 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6850 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7357 2.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 2.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6611 1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5480 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0020 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0020 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5480 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7284 -2.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1729 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6963 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3474 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4293 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7284 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2317 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3675 0.7392 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
1 12 1 0 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
18 21 1 0 0 0 0
15 22 1 0 0 0 0
6 14 1 0 0 0 0
21 23 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
8 29 1 0 0 0 0
26 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 23 1 0 0 0 0
S SKP 5
ID FLIA1ACS0005
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES c(c5)(c(c(c(O)c5)C(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C3O)1)C(C(c(c2)ccc(O)c2)=CO1)=O
M END
