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Mol:FL3FA9GS0006 - 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 />
1.1218 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1218 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.6781 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2344 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2344 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.6781 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7907 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3470 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3470 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7907 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7907 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.9031 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.4701 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.0370 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.0370 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.4701 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.9031 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.6781 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.5657 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7441 0.2081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
-1.2883 -0.3935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-0.6319 -0.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
0.0014 -0.1315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-0.4588 0.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0330 0.0258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
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-1.9988 -0.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.2558 -0.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.1984 3.2478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br />
-2.4915 2.5521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.9423 2.1114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.6198 1.5663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br />
-1.4512 2.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0008 2.5409 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
-2.8294 3.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8767 3.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.3010 1.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.3128 0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.9108 1.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.6338 2.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.6338 3.4586 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 />
3 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
23 19 1 0 0 0 0<br />
29 30 1 1 0 0 0<br />
30 31 1 1 0 0 0<br />
32 31 1 1 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 0 0 0 0<br />
34 29 1 0 0 0 0<br />
29 35 1 0 0 0 0<br />
30 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
25 38 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
39 32 1 0 0 0 0<br />
34 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 -3.5919 0.8094<br />
S SKP 8<br />
ID FL3FA9GS0006<br />
KNApSAcK_ID C00004114<br />
NAME Chrysin 7-gentiobioside<br />
CAS_RN 88640-89-5<br />
FORMULA C27H30O14<br />
EXACTMASS 578.163555668<br />
AVERAGEMASS 578.5187000000001<br />
SMILES C(CO[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)(O1)[C@H](O)[C@@H]([C@H](O)[C@H](Oc(c4)cc(c2c(O)4)OC(c(c3)cccc3)=CC2=O)1)O<br />
M END<br />
</pre></div>
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