Mol:FL1C1ANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-0.8085 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8085 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3041 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3041 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9728 -0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 0.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5399 1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9836 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0960 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6509 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0960 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.0076 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
17 3 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
19 23 1 0 0 0 0
1 23 1 0 0 0 0
S SKP 8
ID FL1C1ANI0003
KNApSAcK_ID C00007053
NAME Derricidin
CAS_RN 38965-74-1
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C
M END
