Mol:FL2FAAGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-4.1938 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1938 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 -1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7649 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7649 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 -1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6217 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8345 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8345 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6217 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 -1.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9082 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5627 1.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 -1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8901 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 1.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8171 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3892 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5837 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3955 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2271 1.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9082 1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3700 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5720 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2552 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6877 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8561 -0.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0193 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5868 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4623 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0810 -0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0396 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2639 -1.8316 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
19 22 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
32 37 1 1 0 0 0
31 33 1 0 0 0 0
35 38 1 0 0 0 0
36 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
S SKP 5
ID FL2FAAGS0017
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c5)ccc(c5)C(C4)Oc(c3C4=O)cc(cc3O)O)C(C(O)2)O)C(C(O)C(O)1)O
M END
