Mol:FL5FAAGS0113
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
1.1286 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 3.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7140 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9911 -2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0085 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7317 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3903 -1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 -1.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4934 -2.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -2.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3613 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5036 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1935 0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0408 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4718 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 -1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 -2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 -1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2251 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6083 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3367 -1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 -2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2791 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2503 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0076 -2.6110 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 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 19 1 0 0 0 0
26 42 1 0 0 0 0
39 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
S SKP 5
ID FL5FAAGS0113
FORMULA C30H32O18
EXACTMASS 680.1588642199999
AVERAGEMASS 680.56428
SMILES C(C1OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)O)(OC(C2O)OC(C(O)C(O)2)C)C(C(O)C(O1)COC(CC(O)=O)=O)O
M END
