Mol:FLIADCNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-3.2167 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2167 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3484 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 -0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5739 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5739 2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0739 3.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0968 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 0.4848 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
8 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
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
18 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -3.0968 0.8973
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -3.5739 2.6401
S SKP 8
ID FLIADCNI0001
KNApSAcK_ID C00009528
NAME Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone
CAS_RN 65893-94-9
FORMULA C27H30O6
EXACTMASS 450.204238692
AVERAGEMASS 450.5235
SMILES C(C)(C)=CCOc(c3OCC=C(C)C)ccc(c3)C(=C1)C(=O)c(c2OC)c(cc(c2)OC)O1
M END
