Mol:FL1C19NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.1205 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5484 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1047 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6608 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7779 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3389 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3389 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7779 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5484 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2315 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7852 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3389 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7852 -0.9639 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 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
2 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 FL1C19NI0001
KNApSAcK_ID C00007045
NAME Isocordoin
CAS_RN 52601-05-5,51619-57-9,55332-93-9
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(O)c(c(O)1)CC=C(C)C
M END
