Mol:FL2F9ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.0635 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1042 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1426 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1426 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
1 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
15 24 1 0 0 0 0
S SKP 8
ID FL2F9ANI0001
KNApSAcK_ID C00008491
NAME Crotaramosmin
CAS_RN 139682-14-7
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c1)ccc(C(C2)Oc(c3)c(c(O)c(c3)CC=C(C)C)C(=O)2)c1
M END
