Mol:FL3FAIDS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-1.1103 -0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1103 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 -2.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2991 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2991 -0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0037 -2.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7084 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7084 -0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0037 -0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0037 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 -2.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5697 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3123 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0548 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0548 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3123 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5697 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8173 0.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 -0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0329 -2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 -2.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6831 -2.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7981 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5525 -1.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1460 -2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5355 -2.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9764 -2.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9057 -2.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9608 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3076 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6545 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7661 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3932 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0986 -0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6260 -0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1405 -0.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9312 -1.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8252 -1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6437 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3123 1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8819 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6950 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8960 0.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7989 -0.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8960 -1.3772 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 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 2 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 20 1 0 0 0 0
39 40 1 0 0 0 0
26 39 1 0 0 0 0
41 42 1 0 0 0 0
17 41 1 0 0 0 0
43 44 1 0 0 0 0
35 43 1 0 0 0 0
45 46 1 0 0 0 0
15 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ CH2OH
M SBV 1 44 0.6791 -0.4283
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 0.0000 -0.7822
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 48
M SMT 3 ^ CH2OH
M SBV 3 48 0.5964 -0.6402
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 45 46
M SBL 4 1 50
M SMT 4 OCH3
M SBV 4 50 -0.7441 0.4296
S SKP 5
ID FL3FAIDS0001
FORMULA C29H34O17
EXACTMASS 654.179599662
AVERAGEMASS 654.57006
SMILES C(C1O)(c(c(OC(C(O)5)OC(CO)C(O)C(O)5)4)c(O)c(c(c4)2)C(=O)C=C(c(c3)cc(OC)c(c3OC)O)O2)OC(CO)C(O)C1O
M END
