Mol:FL5FCAGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
69 75 0 0 0 0 0 0 0 0999 V2000
1.7143 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7143 4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 4.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1433 4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1433 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 6.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9999 4.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 4.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4291 4.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4291 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 3.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9999 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1435 4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8580 4.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8580 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1435 3.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 2.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5725 4.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6775 3.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7440 5.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1435 2.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3051 4.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4824 1.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3155 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7294 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4493 2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6513 2.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2374 1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3496 1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1302 1.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7878 0.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 0.6017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 1.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6811 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4450 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6789 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1762 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4122 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5571 -0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5827 0.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7440 1.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3053 1.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3054 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1126 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1603 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6213 0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 0.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7662 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1231 -0.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2884 -1.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8321 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9442 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8788 -1.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8787 -2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1652 -2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1651 -3.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8796 -4.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8795 -4.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1650 -5.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5494 -4.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5493 -4.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1649 -6.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 -5.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8688 -5.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 -5.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1317 -5.0737 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
18 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 30 1 0 0 0 0
26 19 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
51 55 1 0 0 0 0
47 33 1 0 0 0 0
63 66 1 0 0 0 0
66 67 1 0 0 0 0
61 68 1 0 0 0 0
68 69 1 0 0 0 0
S SKP 5
ID FL5FCAGS0014
FORMULA C45H52O24
EXACTMASS 976.284852592
AVERAGEMASS 976.8799799999999
SMILES CC(C(O)1)OC(OCC(O2)C(O)C(C(OC(O6)C(C(O)C(C(COC(C=Cc(c7)cc(OC)c(c(OC)7)O)=O)6)O)O)C2OC(=C(c(c5)ccc(O)c5)4)C(=O)c(c3O4)c(O)cc(OC)c3)O)C(C1O)O
M END
