Mol:FLIAALNI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4496 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0059 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5091 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2236 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2236 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9381 0.6797 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
2 21 1 0 0 0 0
21 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
13 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -5.6372 5.5561
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SBV 2 30 -4.9227 6.3116
S SKP 8
ID FLIAALNI0007
KNApSAcK_ID C00009835
NAME Viridiflorin;5,7,4'-Trihydroxy-2',5'-dimethoxy-6-prenylisoflavone
CAS_RN 97730-85-3
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES O=C(C(c(c3)c(cc(c3OC)O)OC)=2)c(c1O)c(OC2)cc(O)c(CC=C(C)C)1
M END
