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Mol:FLIAAAGS0006 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
-3.7529 1.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1966 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6403 1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0842 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0842 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.5074 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.9307 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.9307 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.5074 1.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1964 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6403 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.5074 -0.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3544 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3544 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1970 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7483 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7483 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1970 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.2215 -0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6403 -0.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.7951 -0.4676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
2.1413 -0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.6399 -0.7308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
3.1596 -0.7365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
2.7714 -0.3759 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
2.2621 -0.5588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
2.1511 0.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.0904 0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.5852 -0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.4084 1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1547 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
2.6425 0.8294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
3.1332 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
3.3869 1.1293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
2.8991 0.9900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
3.0999 1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.3288 1.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.1332 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.5858 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.0036 -1.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1786 -1.5425 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 7 1 0 0 0 0<br />
7 8 2 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 4 1 0 0 0 0<br />
2 10 1 0 0 0 0<br />
10 11 2 0 0 0 0<br />
11 5 1 0 0 0 0<br />
6 12 2 0 0 0 0<br />
7 13 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
18 13 1 0 0 0 0<br />
19 16 1 0 0 0 0<br />
11 20 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
22 23 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
26 21 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
25 28 1 0 0 0 0<br />
24 29 1 0 0 0 0<br />
21 19 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
35 30 1 0 0 0 0<br />
35 36 1 0 0 0 0<br />
34 37 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
32 39 1 0 0 0 0<br />
31 27 1 0 0 0 0<br />
23 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 CH2OH<br />
M SVB 1 44 3.0036 -1.5425<br />
S SKP 8<br />
ID FLIAAAGS0006<br />
KNApSAcK_ID C00010108<br />
NAME Genistein 4'-O-neohesperidoside;Sophorabioside<br />
CAS_RN 2945-88-2<br />
FORMULA C27H30O14<br />
EXACTMASS 578.163555668<br />
AVERAGEMASS 578.5187000000001<br />
SMILES O([C@@H]2CO)[C@@H](Oc(c3)ccc(C(C(=O)4)=COc(c5)c(c(O)cc(O)5)4)c3)C(C(O)[C@H]2O)O[C@@H](O1)[C@H]([C@H](O)[C@H](O)C(C)1)O<br />
M END<br />
</pre></div>
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