Mol:FLIDWXNS0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -0.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6883 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6762 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 2.4642 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
1 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 25
M SMT 3 OCH3
M SVB 3 25 -2.6398 1.5982
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 0.6762 -1.1857
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.9253 -0.877
S SKP 8
ID FLIDWXNS0004
KNApSAcK_ID C00009696
NAME Bryacarpene 5;3,9,10-Trimethoxypterocarpene
CAS_RN 55306-18-8
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(c1OC)(OC)ccc(c24)c(oc(c(c3OC4)ccc(OC)c3)2)1
M END
</pre>
