Mol:FL5FACGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-3.1418 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1418 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 1.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 -0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3639 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7933 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7933 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 2.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3639 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8428 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 -0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 2.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8997 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8997 -2.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6666 -2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8101 -0.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 -2.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 -2.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3423 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9611 -0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5492 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 -0.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8428 -1.5740 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
28 31 1 0 0 0 0
14 38 1 0 0 0 0
39 40 1 0 0 0 0
33 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 0.0000 0.6509
S SKP 5
ID FL5FACGS0020
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES C(C(O)5)(C(OCC5O)OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O)OC(C(O)1)OCC1(O)CO
M END
