Mol:FL3FACCS0039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.7825 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7825 -1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 -1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 -1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3612 -1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0757 -1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0757 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3612 0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3625 -2.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0872 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9490 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4549 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4549 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9490 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2074 1.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4967 0.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9898 -1.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2374 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9184 -1.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2999 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0523 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3713 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2074 -0.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7569 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0570 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3660 -2.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9500 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5526 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 0.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0348 0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4655 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5116 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2829 0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4708 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4720 1.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 2.3454 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
2 22 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 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
35 39 1 0 0 0 0
36 40 1 0 0 0 0
6 34 1 0 0 0 0
17 41 1 0 0 0 0
S SKP 5
ID FL3FACCS0039
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES C(C1O)(O)C(C)OC(c(c4O)c(c(c3c4C(O5)C(C(C(O)C5C)O)O)C(=O)C=C(O3)c(c2)ccc(O)c2O)O)C1O
M END
