Mol:FL3FALGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.1795 -1.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1795 -2.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2075 -2.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2075 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 -1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 -2.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 -3.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9946 -1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7014 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7014 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9946 -0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 -3.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4080 -0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4080 -1.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8887 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7062 -0.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6840 2.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1294 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6904 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9836 1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0379 1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0786 3.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1645 2.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 0.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2617 3.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 3.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6742 2.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7719 -1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9792 -2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8376 -1.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7360 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -0.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7026 -1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4080 -1.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7585 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0172 -2.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6094 -0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5109 -1.3365 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
15 19 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
17 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
38 21 1 0 0 0 0
44 45 1 0 0 0 0
40 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 ^CH2OH
M SBV 1 49 0.9069 -0.6625
S SKP 5
ID FL3FALGS0006
FORMULA C28H30O17
EXACTMASS 638.148299534
AVERAGEMASS 638.5276
SMILES c(c4O)c(OC(C5O)OC(CO)C(O)C5O)cc(c41)OC(c(c(OC(C3O)OCC(C3O)OC(C)=O)2)cc(O)c(c2)O)=CC1=O
M END
