Mol:FL5FAAGS0071
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
1.1286 3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 2.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 2.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 0.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 3.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7035 -1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1035 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 -1.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7035 -0.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0188 -0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1088 -0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6106 -1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0442 -0.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7026 -1.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8682 -2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2807 -3.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4875 -2.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 -3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7232 -2.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0701 -2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 -3.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0955 -3.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -3.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4616 -2.5856 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
28 22 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 1 0 0 0
27 23 1 0 0 0 0
28 24 1 0 0 0 0
29 26 1 0 0 0 0
27 29 1 0 0 0 0
23 30 1 0 0 0 0
22 25 1 0 0 0 0
26 19 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
31 40 1 0 0 0 0
35 24 1 0 0 0 0
S SKP 5
ID FL5FAAGS0071
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(O4)(c(C(C(=C4c(c5)ccc(c5)O)OC(C2OC(C3O)OC(C)C(C3O)O)OC(C2O)CO)=O)1)cc(O)cc1O
M END
