Mol:FL1CQUNM0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.8166 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8166 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 1.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7072 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0630 0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7072 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7199 -0.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7199 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3119 -1.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1992 -1.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4576 -1.2438 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
6 7 2 0 0 0 0
5 8 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
4 18 1 1 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL1CQUNM0005
KNApSAcK_ID C00014584
NAME Infectocaryone
CAS_RN 371194-02-4
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES C(C1=C(O)C=Cc(c2)cccc2)(CC=CC1=O)CC(=O)OC
M END
