Mol:FL3FF9NS0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 -1.4198 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
7 11 2 0 0 0 0
9 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -1.6591 -1.0073
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -0.9447 1.011
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.1362 0.7355
S SKP 8
ID FL3FF9NS0005
KNApSAcK_ID C00003811
NAME Norwogonin 5,7,8-trimethyl ether
CAS_RN 23050-38-6
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES O(C=2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(OC)cc1OC
M END
</pre>
