Mol:FL5FADGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.6406 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6406 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3878 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3878 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9301 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 -1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8015 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2333 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6256 -2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1993 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9152 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6641 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9734 -2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 -3.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2969 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2970 -2.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2265 3.2526 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
31 32 1 0 0 0 0
27 31 1 0 0 0 0
33 34 1 0 0 0 0
16 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 ^ CH2OH
M SBV 1 35 0.3817 -1.0942
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 0.0000 -0.7543
S SKP 5
ID FL5FADGS0006
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)C
M END
