Mol:FL5FFAGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
1.1286 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2295 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2295 -1.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9546 -2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3224 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9546 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3645 -1.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1652 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7559 -1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -2.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1652 -2.9030 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
13 22 1 0 0 0 0
28 23 1 1 0 0 0
27 23 1 1 0 0 0
26 28 1 1 0 0 0
28 25 1 0 0 0 0
29 26 1 0 0 0 0
27 29 1 0 0 0 0
23 24 1 0 0 0 0
19 26 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
31 34 1 6 0 0 0
S SKP 5
ID FL5FFAGS0025
FORMULA C21H19HO12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(O3)C(C(C3(C(O)CO)[H])O)O)C2=O)c(c1)ccc(O)c1
M END
