Mol:FL5FACGS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3222 0.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3222 0.1493 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0015 | + | ID FL5FACGS0015 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)1 | + | SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3222 0.1493 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 5
ID FL5FACGS0015
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)1
M END
