Mol:FLIAAFNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.3617 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 -0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3413 -0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 0.8325 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
13 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
14 25 1 0 0 0 0
25 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 2.2034 1.245
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.8461 0.0089
S SKP 8
ID FLIAAFNI0001
KNApSAcK_ID C00009878
NAME Piscerythrinetin;5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylisoflavone
CAS_RN 126484-16-0
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES c(c(OC)3)(OC)cc(cc3CC=C(C)C)C(=C2)C(=O)c(c1O2)c(O)cc(c1)O
M END
