Mol:FL3FADGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.6137 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0874 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0874 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -0.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8913 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6058 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3203 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3203 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6058 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8913 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0874 -2.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9697 0.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3133 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2358 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6748 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8670 -0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0875 -0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6540 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3606 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9697 -0.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4448 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 -1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6058 1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2095 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9963 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6132 -0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6994 0.3000 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
30 31 1 0 0 0 0
16 30 1 0 0 0 0
32 34 1 0 0 0 0
32 33 2 0 0 0 0
26 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 0.0000 -0.7073
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 32 33 34
M SBL 2 1 37
M SMT 2 ^ COOH
M SBV 2 37 0.6357 -0.5385
S SKP 5
ID FL3FADGS0005
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(O1)C(O)C(C(O)C1C(O)=O)O)O)=O)OC
M END
