Mol:FL2FA9NM0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 1.1146 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
S SKP 8
ID FL2FA9NM0004
KNApSAcK_ID C00008166
NAME Cryptostrobin
CAS_RN 55743-21-0
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES Oc(c3)c(C)c(O1)c(c(O)3)C(=O)CC(c(c2)cccc2)1
M END
