Mol:FL2FALNS0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.0290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7507 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.5655 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
16 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -2.2998 -1.153
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 2.0624 1.274
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 -2.7769 0.5898
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 0.0044 1.5655
S SKP 8
ID FL2FALNS0002
KNApSAcK_ID C00008356
NAME Arjunone
CAS_RN 56317-22-7
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES O(C(c(c(OC)3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(OC)cc1OC
M END
</pre>
