Mol:FL3FACCS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.5211 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8066 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8066 -0.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3777 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3777 -0.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3777 -2.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7791 -0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7791 1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2353 1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8066 -2.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2353 -0.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7478 2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3769 1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1101 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1029 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6215 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9385 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1338 2.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3769 2.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4416 0.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7791 2.0339 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
6 24 1 0 0 0 0
16 30 1 0 0 0 0
S SKP 5
ID FL3FACCS0004
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(c(O)2)C(C(O)1)OCC(O)C1O
M END
