Mol:FL1AAKGM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0113 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0113 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0113 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0113 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2968 0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2968 0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2968 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2968 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5823 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5823 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5823 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5823 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8681 1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8681 1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1517 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1517 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1527 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1527 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6237 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6237 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3877 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3877 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3987 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3987 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1188 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1188 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8276 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8276 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8162 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8162 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2968 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2968 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4772 0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4772 0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1188 -0.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1188 -0.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6474 1.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6474 1.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5461 2.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5461 2.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7610 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7610 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4772 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4772 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1622 1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1622 1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2968 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2968 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4765 -1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4765 -1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6197 -2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6197 -2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9517 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9517 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1299 -1.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1299 -1.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9865 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9865 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6547 -1.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6547 -1.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0073 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0073 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1828 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1828 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1622 -2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1622 -2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9956 -1.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9956 -1.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2692 0.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2692 0.2725 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 4 25 1 0 0 0 0 | + | 4 25 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 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | 26 35 1 0 0 0 0 | + | 26 35 1 0 0 0 0 |
| − | 30 17 1 0 0 0 0 | + | 30 17 1 0 0 0 0 |
| − | 9 36 2 0 0 0 0 | + | 9 36 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1AAKGM0002 | + | ID FL1AAKGM0002 |
| − | FORMULA C25H28O11 | + | FORMULA C25H28O11 |
| − | EXACTMASS 504.163161738 | + | EXACTMASS 504.163161738 |
| − | AVERAGEMASS 504.48322 | + | AVERAGEMASS 504.48322 |
| − | SMILES C(O)(C(O)4)C(C)OC(C(O)4)Oc(c3)c(c1c(C)c3O)c(c(=Cc(c2)cc(c(OC)c2OC)OC)o1)=O | + | SMILES C(O)(C(O)4)C(C)OC(C(O)4)Oc(c3)c(c1c(C)c3O)c(c(=Cc(c2)cc(c(OC)c2OC)OC)o1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.0113 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0113 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8681 1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1517 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1527 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6237 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3987 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4772 0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 -0.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6474 1.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5461 2.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7610 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4772 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1622 1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4765 -1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6197 -2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9517 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1299 -1.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9865 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6547 -1.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0073 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1828 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 -2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9956 -1.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2692 0.2725 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
8 10 2 0 0 0 0
10 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
3 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
1 20 1 0 0 0 0
15 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
21 24 1 0 0 0 0
4 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
28 33 1 0 0 0 0
27 34 1 0 0 0 0
26 35 1 0 0 0 0
30 17 1 0 0 0 0
9 36 2 0 0 0 0
S SKP 5
ID FL1AAKGM0002
FORMULA C25H28O11
EXACTMASS 504.163161738
AVERAGEMASS 504.48322
SMILES C(O)(C(O)4)C(C)OC(C(O)4)Oc(c3)c(c1c(C)c3O)c(c(=Cc(c2)cc(c(OC)c2OC)OC)o1)=O
M END
