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Mol:FL3FACGS0027 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
43 47 0 0 0 0 0 0 0 0999 V2000<br />
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2 3 2 0 0 0 0<br />
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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 />
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18 1 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
16 21 1 0 0 0 0<br />
22 23 1 1 0 0 0<br />
23 24 1 1 0 0 0<br />
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27 22 1 0 0 0 0<br />
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24 30 1 0 0 0 0<br />
32 33 1 1 0 0 0<br />
33 34 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
35 36 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
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25 18 1 0 0 0 0<br />
27 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
37 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SVB 2 46 -2.6841 -0.7103<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 -2.5405 1.1066<br />
S SKP 8<br />
ID FL3FACGS0027<br />
KNApSAcK_ID C00004286<br />
NAME Luteolin 7-allosyl-(1->2)-glucoside<br />
CAS_RN 113471-89-9<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES c(c1)c(c(O)cc1C(=C5)Oc(c(C(=O)5)2)cc(O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O[C@H](O3)[C@H]([C@@H](O)[C@H](C3CO)O)O)cc2O)O<br />
M END<br />
</pre></div>
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