Mol:FL3FAHGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
2.4709 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4709 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8159 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4317 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5128 -0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2038 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6161 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2036 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4055 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6123 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0247 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8229 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2364 1.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2038 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9001 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9107 1.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8749 1.1763 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
30 34 2 0 0 0 0
30 35 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL3FAHGS0003
FORMULA C22H20O13
EXACTMASS 492.090390726
AVERAGEMASS 492.3864
SMILES c(c1)(OC)c(c(cc(C(O4)=CC(c(c34)c(cc(c3)OC(O2)C(O)C(C(O)C2C(O)=O)O)O)=O)1)O)O
M END
