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Mol:FL4DAAGS0011 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
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-4.6857 1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.0845 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8931 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 2 0 0 0 0<br />
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4 5 1 0 0 0 0<br />
5 6 2 0 0 0 0<br />
6 1 1 0 0 0 0<br />
3 7 1 0 0 0 0<br />
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9 10 1 0 0 0 0<br />
10 4 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
9 12 1 6 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 />
6 18 1 0 0 0 0<br />
8 19 1 1 0 0 0<br />
15 20 1 0 0 0 0<br />
2 21 1 0 0 0 0<br />
22 23 1 1 0 0 0<br />
23 24 1 1 0 0 0<br />
25 24 1 1 0 0 0<br />
25 26 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
23 28 1 0 0 0 0<br />
24 29 1 0 0 0 0<br />
18 25 1 0 0 0 0<br />
22 30 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
35 36 1 0 0 0 0<br />
36 31 1 0 0 0 0<br />
30 35 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 40 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
27 41 1 0 0 0 0<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 SBV 1 46 0.4287 -0.7142<br />
S SKP 5<br />
ID FL4DAAGS0011<br />
FORMULA C27H32O15<br />
EXACTMASS 596.174120354<br />
AVERAGEMASS 596.5339799999999<br />
SMILES Oc(c5)ccc(c5)C(C(O)4)Oc(c(C4=O)1)cc(OC(O3)C(C(O)C(C3CO)OC(O2)C(O)C(O)C(O)C(C)2)O)cc1O<br />
M END<br />
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