Mol:FL3FAACS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.6014 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8870 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8870 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2564 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2564 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3156 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0609 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0520 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4570 0.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8487 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0735 2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5393 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8870 -2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0501 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8030 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5558 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5558 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8030 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0501 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0418 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5652 -2.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8787 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2163 -1.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 -1.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2982 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0418 -0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3083 -2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3826 -2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7307 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4807 -0.3768 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 2 1 0 0 0 0
26 38 1 0 0 0 0
34 39 1 0 0 0 0
39 40 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 43
M SMT 1 CH2OH
M SBV 1 43 0.4325 -0.4744
S SKP 5
ID FL3FAACS0015
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O
M END
