Mol:FL1C9ANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
1.5271 0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5271 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0834 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0834 1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2701 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8264 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2860 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8469 0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2860 -0.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8469 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3995 1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9522 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9522 0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3995 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1960 1.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5047 1.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5048 -0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5048 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9522 -0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3995 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1960 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0678 -1.2387 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
17 5 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 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
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FL1C9ANP0001
KNApSAcK_ID C00007076
NAME Crotmadine
CAS_RN 92662-86-7
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c3)ccc(c3)C=CC(c(c1)c(C2)c(OC(C2)(C)C)c(c1)O)=O
M END
