Mol:FL5FACGS0114
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
3.5306 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 3.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2451 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2451 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1018 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 2.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1018 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7561 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7561 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 -0.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4279 2.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7007 0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 -0.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8370 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 4.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8342 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2469 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4533 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6550 0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0359 1.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9901 0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8269 0.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4463 1.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6432 -1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9709 -0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6388 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8218 -0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4939 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8138 -1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1142 -1.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5812 -2.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1846 -2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7003 -0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3755 -3.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -3.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 -2.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6937 -1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8862 -2.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8372 -2.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3155 -3.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 -3.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3150 -4.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8607 -3.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0770 -2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3035 -2.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1092 -2.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1274 -2.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5393 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3631 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6006 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0131 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6006 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8370 -2.7946 0.0000 O 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 18 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 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
47 43 1 0 0 0 0
36 19 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
40 55 1 0 0 0 0
S SKP 5
ID FL5FACGS0114
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES C(C(O)1)(O)C(O)C(C)OC1Oc(c7)cc(c2c7O)OC(c(c6)ccc(c6O)O)=C(OC(C(OC(O5)C(O)C(O)C(C(CO)5)O)3)OC(COC(=O)C=Cc(c4)ccc(c4)O)C(O)C(O)3)C(=O)2
M END
