Mol:FL3FACDS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.1662 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1662 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4405 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2851 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2851 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4405 0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7363 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7363 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 0.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4405 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 -0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8469 0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8469 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5365 1.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 -2.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9446 1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 1.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4198 0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7421 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4957 1.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8384 1.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7161 2.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7068 2.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8915 0.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1234 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -0.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0509 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4381 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2024 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5108 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5365 0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0181 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3301 -0.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6071 -1.1683 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
3 11 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
9 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 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 1 0 0 0 0
21 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
6 23 1 0 0 0 0
1 30 1 0 0 0 0
16 31 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 30 1 0 0 0 0
S SKP 5
ID FL3FACDS0021
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O(c(c2C(C(O)5)OC(C)C(O)C5O)cc(O)c(C4=O)c2OC(=C4)c(c3)ccc(O)c3O)C(O1)C(C(C(C1C)O)O)O
M END
