Mol:FL3FACGS0053
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
0.8099 0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8099 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4303 -0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0505 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0505 0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4303 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6710 -0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2914 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2914 0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6710 0.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6710 -1.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9115 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1760 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1760 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9115 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0954 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4303 -1.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9935 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 2.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4411 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7320 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7108 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4415 0.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4845 0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1707 0.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5680 -0.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6926 -0.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0700 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0752 -2.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0184 -2.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4852 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5105 -1.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4277 -1.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6974 -1.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7034 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0184 -3.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0654 1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8975 2.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5876 1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2750 2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9935 1.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2750 2.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8975 3.0490 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
7 11 2 0 0 0 0
9 12 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
32 33 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 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 41 1 0 0 0 0
36 30 1 0 0 0 0
25 18 1 0 0 0 0
31 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
43 48 2 0 0 0 0
S SKP 5
ID FL3FACGS0053
FORMULA C30H32O18
EXACTMASS 680.1588642199999
AVERAGEMASS 680.56428
SMILES OC(C5C)C(C(C(O5)OC(C1O)C(Oc(c4)cc(c2c(O)4)OC(c(c3)cc(O)c(c3)O)=CC2=O)OC(C(O)1)COC(=O)CC(O)=O)O)O
M END
