Mol:FLID1ANI0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.0044 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5565 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5453 -0.8232 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
21 25 1 6 0 0 0
S SKP 8
ID FLID1ANI0005
KNApSAcK_ID C00009648
NAME Dolichin B
CAS_RN 78859-49-1
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES CC(=C)C(O)Cc(c14)c(ccc(C(C(O4)2)COc(c3)c2ccc(O)3)1)O
M END
</pre>
