Mol:FL5FACGSS004
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 |
| − | 1.1673 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1673 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4529 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4529 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4529 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4529 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1673 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1673 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8818 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8818 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8818 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8818 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2616 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2616 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9761 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9761 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6906 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6906 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6906 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6906 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9761 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9761 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2616 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2616 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4050 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4050 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1195 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1195 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1195 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1195 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4050 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4050 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9761 -0.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9761 -0.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8340 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8340 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3374 -0.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3374 -0.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4050 -1.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4050 -1.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4737 2.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4737 2.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5765 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5765 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1736 0.9246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1736 0.9246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8340 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8340 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1767 0.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1767 0.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1704 1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1704 1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1451 -1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1451 -1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5577 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5577 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7642 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7642 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0341 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0341 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4468 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4468 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3468 -1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3468 -1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0721 -2.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0721 -2.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2184 -2.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2184 -2.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1187 -1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1187 -1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8796 -1.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8796 -1.4740 0.0000 C 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 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 23 26 2 0 0 0 0 | + | 23 26 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
| − | 31 19 1 0 0 0 0 | + | 31 19 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGSS004 | + | ID FL5FACGSS004 |
| − | FORMULA C21H20O14S | + | FORMULA C21H20O14S |
| − | EXACTMASS 528.057376038 | + | EXACTMASS 528.057376038 |
| − | AVERAGEMASS 528.4411 | + | AVERAGEMASS 528.4411 |
| − | SMILES C(=C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(c(c1)O)OS(O)(=O)=O | + | SMILES C(=C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(c(c1)O)OS(O)(=O)=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
1.1673 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4529 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4529 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1673 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2616 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9761 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6906 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6906 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9761 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2616 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1195 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1195 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9761 -0.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8340 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3374 -0.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 -1.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4737 2.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1736 0.9246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8340 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1767 0.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1704 1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 -1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5577 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7642 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0341 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4468 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3468 -1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 -2.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2184 -2.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 -1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8796 -1.4740 0.0000 C 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 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
23 26 2 0 0 0 0
27 28 1 0 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
30 33 1 0 0 0 0
29 34 1 0 0 0 0
28 35 1 0 0 0 0
27 36 1 0 0 0 0
31 19 1 0 0 0 0
22 6 1 0 0 0 0
S SKP 5
ID FL5FACGSS004
FORMULA C21H20O14S
EXACTMASS 528.057376038
AVERAGEMASS 528.4411
SMILES C(=C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(c(c1)O)OS(O)(=O)=O
M END
