Mol:FLICQUNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8752 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 -1.5150 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
18 19 2 0 0 0 0
15 20 2 0 0 0 0
16 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 1.6609 -0.7211
S SKP 8
ID FLICQUNS0001
KNApSAcK_ID C00002511
NAME Bowdichione
CAS_RN 53774-75-7
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES COc(c3)c(=O)cc(c(=O)3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
