Mol:FL3FAADS0033
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
2.1636 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4491 0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7346 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7346 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4491 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1636 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3652 0.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0202 -1.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4491 -1.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0679 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3509 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5258 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1093 0.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8263 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1744 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8404 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1687 -0.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7575 -0.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 -0.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9452 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6597 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3742 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3742 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6597 2.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9452 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9893 2.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8878 -1.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3044 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5876 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7629 -1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3462 -1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0630 -1.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8877 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9893 -2.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1307 -2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5116 0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9280 0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2110 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 1.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6864 0.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0141 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6346 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9824 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5500 0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6756 0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 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 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 24 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
41 49 1 0 0 0 0
42 50 1 0 0 0 0
43 51 1 0 0 0 0
44 11 1 0 0 0 0
S SKP 5
ID FL3FAADS0033
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES O(c(c(C(O6)C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5)4)cc(c(c4O)2)OC(c(c3)ccc(O)c3)=CC(=O)2)C(O1)C(C(O)C(O)C1CO)O
M END
