Mol:FLIDWXNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.4612 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 -0.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3184 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4976 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 -1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.6708 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
15 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
13 22 1 0 0 0 0
22 23 1 0 0 0 0
14 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 27
M SMT 4 OCH3
M SVB 4 27 1.7467 -0.877
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 0.4976 -1.1857
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 -2.8184 1.5982
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 2.1039 0.3591
S SKP 8
ID FLIDWXNS0008
KNApSAcK_ID C00009700
NAME Bryacarpene 3;3,8,9,10-Tetramethoxypterocarpene
CAS_RN 55306-17-7
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(c1OC)c(c24)c(oc(c(c3OC4)ccc(OC)c3)2)c(c1OC)OC
M END
