Mol:FL3FACCS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.3736 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3736 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0289 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0289 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4313 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4313 0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 1.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 -1.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0745 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1843 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6136 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6136 2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 2.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1843 2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6710 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1682 -1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3237 -1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1890 -0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8634 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7008 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2036 -2.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2286 -2.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6538 -0.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4303 -3.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9513 -2.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0581 -2.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0002 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6005 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4174 -2.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9945 -3.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0785 -3.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7099 -2.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3281 -1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9835 -2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3281 2.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 3.4428 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
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 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 2 0 0 0 0
21 27 1 0 0 0 0
22 28 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 28 1 0 0 0 0
25 38 1 0 0 0 0
34 39 1 0 0 0 0
23 2 1 0 0 0 0
17 40 1 0 0 0 0
18 41 1 0 0 0 0
S SKP 5
ID FL3FACCS0044
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES c(c5O)(c(cc(c54)OC(=CC4=O)c(c3)ccc(c3O)O)O)C(C(OC(C(O)2)OC(C)C(C2O)O)1)OC(C)C(=O)C1O
M END
