Mol:FL3FABGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.3336 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3336 -1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -2.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 -1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7693 -2.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4704 -1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4704 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7693 -0.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7693 -2.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1711 -0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8855 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5999 -0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5999 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8855 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1711 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0344 -0.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -2.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1821 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5411 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6180 -0.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7273 -0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3745 -0.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1821 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4715 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8207 -0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1472 -1.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8801 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7863 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9801 -0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2360 0.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9801 1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7863 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5306 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1980 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4357 2.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9696 2.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2542 1.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4246 0.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3142 0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4246 0.2069 0.0000 C 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
19 3 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
31 36 1 0 0 0 0
36 26 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
35 39 1 0 0 0 0
30 40 1 0 0 0 0
23 18 1 0 0 0 0
41 42 1 0 0 0 0
15 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 -0.7143 -0.4123
S SKP 5
ID FL3FABGS0005
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES O(C)c(c5)ccc(c5)C(O4)=CC(c(c34)c(O)cc(c3)OC(C(O)1)OC(COC(O2)C(C(C(O)C(C)2)O)O)C(O)C(O)1)=O
M END
