Mol:FL3FAAGS0060
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
0.5415 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5415 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2559 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9704 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9704 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2559 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3993 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3993 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1137 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8282 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5427 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5427 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8282 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1137 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 -2.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2559 -2.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1730 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2889 1.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8537 1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4410 0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6427 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8493 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2618 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0602 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9816 1.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3960 0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0533 0.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -0.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7246 1.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3119 1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5137 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7202 1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1328 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9311 1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2310 2.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8539 2.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2889 1.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8830 1.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2300 0.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7093 -0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1219 -1.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3284 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5301 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1174 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -1.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -2.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 -1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5990 -1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3214 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 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
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 28 1 0 0 0 0
24 19 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
46 49 1 0 0 0 0
45 50 1 0 0 0 0
44 51 1 0 0 0 0
43 52 1 0 0 0 0
47 31 1 0 0 0 0
S SKP 5
ID FL3FAAGS0060
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES C(c21)(=O)C=C(c(c6)ccc(c6)O)Oc1cc(OC(O3)C(OC(O5)C(O)C(C(O)C(C)5)O)C(C(C(COC(C4O)OC(CO)C(C4O)O)3)O)O)cc2O
M END
