Mol:FL3FFCGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.7869 -1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0168 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0168 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -0.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -3.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1463 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1463 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -3.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4907 -0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4130 1.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3462 2.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4123 1.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2399 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4790 1.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6538 1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1778 2.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1387 2.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9298 0.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0675 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1778 0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9229 3.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8127 2.5694 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
1 19 1 0 0 0 0
6 20 1 0 0 0 0
16 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 20 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
33 34 1 0 0 0 0
27 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 OCH3
M SBV 1 35 -0.9212 -0.6677
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 ^CH2OH
M SBV 2 37 0.2691 -1.2248
S SKP 5
ID FL3FFCGS0015
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES Oc(c24)cc(c(c(OC(=CC4=O)c(c3)ccc(c3O)OC)2)OC(O1)C(O)C(C(C(CO)1)O)O)O
M END
