Mol:FL1C1CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.4107 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4107 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2981 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2981 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1855 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3706 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9267 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0487 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0487 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9267 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6096 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9668 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9147 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7807 -1.0042 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 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.2523 -0.2104
S SKP 8
ID FL1C1CNS0002
KNApSAcK_ID C00006942
NAME Homobutein
CAS_RN 24000-39-0
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c1)c(O)ccc(C=CC(=O)c(c2)c(O)cc(O)c2)1
M END
