Mol:FLIAALNI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-2.3735 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3735 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8172 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2609 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2609 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8172 0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7046 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7046 0.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4078 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4078 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 -1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5974 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5974 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7046 -1.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8172 -1.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9296 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9296 -1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0394 -1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8172 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3735 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 -1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3735 2.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9284 2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8186 2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4257 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4257 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0394 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9296 0.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 0.2251 0.0000 O 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 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 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
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
26 14 1 0 0 0 0
25 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
31 32 2 0 0 0 0
1 35 1 0 0 0 0
16 36 1 0 0 0 0
S SKP 8
ID FLIAALNI0022
KNApSAcK_ID C00009952
NAME Euchrenone b2;5,7,2',4'-Tetrahydroxy-6,8,3'-triprenylisoflavone
CAS_RN 119061-10-8
FORMULA C30H34O6
EXACTMASS 490.23553882
AVERAGEMASS 490.58736000000005
SMILES c(c13)(c(O)c(CC=C(C)C)c(c1C(=O)C(=CO3)c(c2)c(O)c(CC=C(C)C)c(c2)O)O)CC=C(C)C
M END
