Mol:FL2F3CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.2251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2941 0.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6920 1.5688 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -1.1286 0.6691
S SKP 8
ID FL2F3CNS0002
KNApSAcK_ID C00008284
NAME 8-Methoxybutin
CAS_RN 72241-27-1
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)3)c(O1)c(cc3)C(=O)CC1c(c2)cc(O)c(O)c2
M END
