Mol:081 FLIH
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-3.2787 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2787 0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5646 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8501 0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8501 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5646 1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1358 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4211 0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4211 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1358 1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2933 1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5646 -0.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9932 1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2790 -1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3384 -0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7674 -0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7674 -0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4819 -1.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 -0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4819 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 -0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9932 -0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6088 -1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7674 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 5 1 0
1 2 2 0
9 11 2 0
3 12 1 0
1 13 1 0
14 8 1 0
12 15 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
14 16 2 0
14 20 1 0
18 21 1 0
21 22 1 0
19 23 1 0
23 24 2 0
24 22 1 0
22 25 1 0
22 26 1 0
20 27 1 0
27 28 1 0
S SKP 5
ID 081 FLIH
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES COc(c4)c(C=1)c(cc(O)4)OC(=O)C1c(c3)c(OC)c(C=2)c(c3)OC(C)(C)C2
M END
