Mol:FLIA3CNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -1.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4015 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9650 2.3436 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.4015 1.4439
S SKP 8
ID FLIA3CNS0004
KNApSAcK_ID C00009821
NAME Maximaisoflavone E
CAS_RN 94413-09-9
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c(O)4)c(O3)c(cc4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1
M END
