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Mol:FL3FFCGS0005 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
44 48 0 0 0 0 0 0 0 0999 V2000<br />
0.1970 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1970 0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7937 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3902 0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3902 0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7937 1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9869 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.5836 0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.5836 0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9869 1.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9869 -0.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.1801 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.7882 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.3962 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.3962 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.7882 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.1801 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.7882 3.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7937 -0.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.4020 1.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7937 2.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.1492 2.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.7774 1.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
-3.0954 0.1203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-2.1133 0.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.1655 0.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.8541 1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8575 0.8409 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
-4.5400 0.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.1487 -0.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.5504 -0.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.1492 -2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.1048 -1.4075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
-3.4228 -2.3079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-2.4406 -1.9259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.4929 -1.9157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-2.1815 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1848 -1.5871 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
-1.8778 -2.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4228 -3.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4368 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.3936 -0.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.2483 1.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6068 2.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
9 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 12 1 0 0 0 0<br />
16 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
1 20 1 0 0 0 0<br />
6 21 1 0 0 0 0<br />
22 15 1 0 0 0 0<br />
23 24 1 1 0 0 0<br />
24 25 1 1 0 0 0<br />
26 25 1 1 0 0 0<br />
26 27 1 0 0 0 0<br />
27 28 1 0 0 0 0<br />
28 23 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
24 30 1 0 0 0 0<br />
25 31 1 0 0 0 0<br />
33 34 1 1 0 0 0<br />
34 35 1 1 0 0 0<br />
36 35 1 1 0 0 0<br />
36 37 1 0 0 0 0<br />
37 38 1 0 0 0 0<br />
38 33 1 0 0 0 0<br />
35 39 1 0 0 0 0<br />
32 33 1 0 0 0 0<br />
36 31 1 0 0 0 0<br />
26 20 1 0 0 0 0<br />
34 40 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
38 41 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
28 43 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 43 44<br />
M SBL 2 1 48<br />
M SMT 2 CH2OH<br />
M SVB 2 48 -3.2483 1.909<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 46<br />
M SMT 1 CH2OH<br />
M SVB 1 46 -3.4368 -0.5039<br />
S SKP 8<br />
ID FL3FFCGS0005<br />
KNApSAcK_ID C00004421<br />
NAME 8-Hydroxyluteolin 7-allosyl-(1->2)-glucoside<br />
CAS_RN 93252-28-9<br />
FORMULA C27H30O17<br />
EXACTMASS 626.148299534<br />
AVERAGEMASS 626.5169000000001<br />
SMILES O[C@@H]([C@@H](O)1)[C@H](O[C@@H]([C@H]2O)[C@H](Oc(c5)c(O)c(O3)c(c(O)5)C(=O)C=C3c(c4)ccc(O)c4O)OC([C@@H]2O)CO)OC([C@@H]1O)CO<br />
M END<br />
</pre></div>
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