Mol:FL1AUNNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-0.4396 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4396 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4780 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4780 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1306 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1306 0.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9248 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 1.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9236 0.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1455 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6642 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6642 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1455 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1455 -0.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2565 -1.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5281 -1.0194 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
3 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 4 1 0 0 0 0
10 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
10 20 2 0 0 0 0
7 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 24
M SMT 1 OCH3
M SBV 1 24 -4.5996 4.3146
S SKP 8
ID FL1AUNNF0001
KNApSAcK_ID C00008039
NAME Derriobtusone A
CAS_RN 61755-71-3
FORMULA C18H12O4
EXACTMASS 292.073558872
AVERAGEMASS 292.28548
SMILES c(c14)(occ4)ccc(c2OC)c(oc(C(=O)c(c3)cccc3)2)1
M END
