Mol:FL1D1ANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-3.2269 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2269 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7980 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7980 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8099 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4447 0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0881 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3577 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3941 -0.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3941 -1.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0285 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7430 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7430 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0285 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1719 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8864 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8864 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1719 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7430 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3302 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4447 0.4224 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 16 1 0 0 0 0
14 23 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL1D1ANP0001
KNApSAcK_ID C00014614
NAME Crotaramin
CAS_RN 255831-59-5
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)CCc(c1)ccc(OC)c1
M END
