Mol:FLIA1CNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9542 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
1 11 1 0 0 0 0
8 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 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 2 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -6.3365 3.3698
S SKP 8
ID FLIA1CNS0005
KNApSAcK_ID C00009390
NAME 3'-Methoxydaidzein
CAS_RN 21913-98-4
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c(O)3)cc(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
