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Mol:FL2FA9GS0005 - 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 />
0.1416 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1416 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8426 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.5436 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.5436 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8426 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2447 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9457 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9457 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2447 1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6465 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.3610 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.0756 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.0756 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.3610 3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6465 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2447 -0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.5592 1.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8426 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.8472 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4984 1.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.2986 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.2195 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.5683 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.7681 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.3081 0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.7681 1.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.0141 0.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.3683 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.8796 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8194 -0.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.7651 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.2539 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.3139 -0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.5268 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.7584 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9462 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9462 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9462 -3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1965 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.3813 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.8703 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.0756 2.2794 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 1 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
9 11 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 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 11 1 0 0 0 0<br />
7 17 2 0 0 0 0<br />
1 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
20 18 1 0 0 0 0<br />
20 21 1 0 0 0 0<br />
21 22 1 0 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 1 0 0 0<br />
24 25 1 1 0 0 0<br />
20 25 1 1 0 0 0<br />
24 26 1 0 0 0 0<br />
23 27 1 0 0 0 0<br />
25 28 1 0 0 0 0<br />
30 29 1 1 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 1 0 0 0<br />
29 34 1 1 0 0 0<br />
28 30 1 0 0 0 0<br />
32 35 1 0 0 0 0<br />
33 36 1 0 0 0 0<br />
37 38 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
38 40 2 0 0 0 0<br />
29 41 1 0 0 0 0<br />
34 37 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
22 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 42 43<br />
M SBL 1 1 47<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 47 0.5717 -0.4110<br />
S SKP 5<br />
ID FL2FA9GS0005<br />
FORMULA C29H34O14<br />
EXACTMASS 606.194855796<br />
AVERAGEMASS 606.57186<br />
SMILES C(C(C)1)(C(OC(C)=O)C(C(OC(C5O)C(OC(C5O)CO)Oc(c4)cc(O2)c(c(O)4)C(CC(c(c3)cccc3)2)=O)O1)O)O<br />
M END<br />
</pre></div>
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