Mol:FLIAACNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.3394 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -1.5005 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
13 31 1 0 0 0 0
S SKP 8
ID FLIAACNI0005
KNApSAcK_ID C00009922
NAME Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone
CAS_RN 129280-34-8
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(O3)=C(C(=O)c(c32)c(O)c(CC=C(C)C)c(c2)O)c(c1)cc(c(c1O)O)CC=C(C)C
M END
