Mol:FLIAAAGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.6678 -0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2433 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2433 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 0.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6678 -0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 -2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9837 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9837 -2.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 -2.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4004 -2.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4004 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6921 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0310 -2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 0.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2714 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6041 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9414 -0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1149 -0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7666 0.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4435 0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0310 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3877 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2303 -0.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9430 0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 -2.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3133 2.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5734 1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0040 2.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2271 2.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5734 2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9426 1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0294 2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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
18 15 1 0 0 0 0
1 19 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
25 29 1 0 0 0 0
19 23 1 0 0 0 0
10 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
31 38 1 0 0 0 0
38 29 1 0 0 0 0
39 40 1 0 0 0 0
33 39 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 0.0000 0.6017
S SKP 5
ID FLIAAAGS0010
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C1OCC(O2)C(O)C(C(O)C2Oc(c5)cc(O)c(c53)C(C(c(c4)ccc(c4)O)=CO3)=O)O)(C(CO)(CO1)O)O
M END
