Mol:FL5FAHGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 43 0 0 0 0 0 0 0 0999 V2000
1.8362 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8362 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4073 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4073 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7361 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7361 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 -1.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1651 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1829 -0.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7361 -1.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2652 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8362 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2286 0.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8930 1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3195 -1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0614 -2.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8597 -2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2724 -1.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4789 -1.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8138 -3.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3741 -2.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0515 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8930 -2.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2350 -2.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2350 -3.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5915 -2.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 -2.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 -3.1583 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
6 23 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
26 33 1 0 0 0 0
25 34 1 0 0 0 0
29 19 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
33 39 1 0 0 0 0
S SKP 5
ID FL5FAHGS0005
FORMULA C25H24O15
EXACTMASS 564.111520098
AVERAGEMASS 564.4490599999999
SMILES c(O)(c(OC)1)c(O)cc(C(O3)=C(C(c(c(O)4)c(cc(c4)O)3)=O)OC(C2O)OC(C)C(C2O)OC(=O)CC(O)=O)c1
M END
