Mol:FL6FAAGS0001
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.5981 0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5981 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8836 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1692 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1692 0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8836 0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5453 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2597 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2597 0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5453 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9742 0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6946 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4150 0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4150 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6946 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9742 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1344 2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5507 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0387 -2.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3015 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5902 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1072 -1.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7521 -1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1344 -1.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6293 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5891 -2.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8868 -1.4958 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 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
4 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 5 1 0 0 0 0
9 11 1 6 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
28 3 1 0 0 0 0
S SKP 5
ID FL6FAAGS0001
FORMULA C20H22O8
EXACTMASS 390.13146768
AVERAGEMASS 390.38388000000003
SMILES C(O1)(Oc(c4)c(c(cc(O)4)3)CCC(O3)c(c2)ccc(O)c2)C(O)C(C(O)C1)O
M END
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