Mol:FL2F19NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-0.5674 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5674 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5452 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5452 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3479 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1235 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -0.5400 0.0000 C 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL2F19NI0001
KNApSAcK_ID C00008131
NAME Isoderricidin
CAS_RN 38965-76-3
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES C(C3)(Oc(c2C(=O)3)cc(OCC=C(C)C)cc2)c(c1)cccc1
M END
