Mol:FL3FCFGS0001
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/
35 38 0 0 0 0 0 0 0 0999 V2000
1.6070 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6070 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3215 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0360 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0360 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3215 2.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8926 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 1.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5364 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5364 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8926 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 -1.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6798 1.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7416 2.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7004 0.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4149 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4093 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9612 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5487 -1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7506 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9573 -1.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3698 -1.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1679 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3249 -0.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8046 -0.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4442 -1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9972 -1.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9220 -2.3259 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
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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
23 20 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 8
ID FL3FCFGS0001
KNApSAcK_ID C00013686
NAME Lethedoside A;Luteolin 7,3',4'-trimethyl ether 5-glucoside;2-(3,4-Dimethoxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 221289-20-9
FORMULA C24H26O11
EXACTMASS 490.147511674
AVERAGEMASS 490.45664
SMILES O(C(C4O)OC(CO)C(O)C4O)c(c12)cc(cc1OC(c(c3)cc(OC)c(c3)OC)=CC2=O)OC
M END
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