Mol:FL3FE9GS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
0.9272 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9272 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6282 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3293 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3293 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6282 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0303 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7313 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7313 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0303 -0.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0303 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6316 0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3461 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0606 0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0606 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3461 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6316 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 -0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6282 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1521 -1.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6599 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6774 1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5780 2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2922 1.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5559 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6553 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9410 0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2198 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9929 1.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2914 2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7383 2.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3292 2.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8093 1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8033 1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8034 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3233 2.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3294 2.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8351 2.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6874 2.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0606 2.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6414 1.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1312 1.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
26 18 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 29 1 0 0 0 0
S SKP 5
ID FL3FE9GS0012
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES OC(C5C)C(C(O)C(O5)Oc(c(OC)4)cc(c3c(O)4)OC(=CC(=O)3)c(c2)cccc2)OC(O1)C(C(C(O)C(CO)1)O)O
M END
