Mol:FL3FCACS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9194 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9194 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4905 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4905 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 -2.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3376 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0166 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0166 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3376 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6956 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9506 1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6939 1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8816 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2517 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6956 1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4023 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2669 1.4979 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
3 11 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
9 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 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
24 28 1 0 0 0 0
25 29 1 0 0 0 0
6 23 1 0 0 0 0
30 31 1 0 0 0 0
1 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.6799 -0.4311
S SKP 5
ID FL3FCACS0005
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES C(=C4)(Oc(c(C4=O)2)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)c(c1)ccc(c1)O
M END
