Mol:FL5FDGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.4252 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 -2.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8749 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6031 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6031 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8749 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4175 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 -0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8749 2.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7373 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1865 0.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7373 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4814 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4191 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9399 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1438 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4175 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1858 -1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2979 -2.3778 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
24 20 1 0 0 0 0
33 34 1 0 0 0 0
8 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -0.7532 0.4349
S SKP 5
ID FL5FDGGS0001
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES Oc(c24)cc(cc2OC(=C(OC)C4=O)c(c3)cc(O)c(O)c(O)3)OC(C1O)OC(C(O)C1O)C
M END
