Mol:FL3FAACS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-2.0480 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0480 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3336 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6192 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6192 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3336 0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0953 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8098 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8098 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0953 0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0967 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0111 2.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7935 2.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3337 0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4890 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7258 2.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3097 3.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6947 1.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3336 -2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 0.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3562 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 0.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3562 1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8616 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6187 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4487 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1295 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5522 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0415 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7853 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8616 -3.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0882 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 2.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6719 1.1722 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
26 29 1 0 0 0 0
30 31 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 30 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
33 38 1 0 0 0 0
2 34 1 0 0 0 0
39 40 1 0 0 0 0
18 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 -0.6311 -0.1417
S SKP 5
ID FL3FAACS0016
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M END
