Mol:FLIDWXNS0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.4612 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3184 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.6197 0.0000 C 0 0 0 0 0 0 0 0 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 2 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
13 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.7467 -0.826
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.1039 0.4101
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.8184 1.6492
S SKP 8
ID FLIDWXNS0006
KNApSAcK_ID C00009698
NAME Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene
CAS_RN 55306-15-5
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1
M END
</pre>
