Mol:FL3FCACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.3767 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3767 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4581 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4581 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 -1.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5642 1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4028 -0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7460 -1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0890 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 -1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8263 -0.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5358 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3860 0.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5642 -1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2167 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8319 0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 1.9686 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 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
2 23 1 0 0 0 0
29 30 1 0 0 0 0
1 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.4552 -0.7882
S SKP 5
ID FL3FCACS0001
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(C(=O)4)(c(OC(=C4)c(c3)ccc(O)c3)2)c(c(c(OC)c2)C(C(O)1)OCC(O)C1O)O
M END
