Mol:FLIA19NM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.8068 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4184 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1641 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 2.1722 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
9 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.1641 1.3062
S SKP 8
ID FLIA19NM0002
KNApSAcK_ID C00009381
NAME 7-Methoxy-2-methylisoflavone
CAS_RN 19725-44-1
FORMULA C17H14O3
EXACTMASS 266.09429431399997
AVERAGEMASS 266.29125999999997
SMILES COc(c3)cc(O1)c(c3)C(=O)C(c(c2)cccc2)=C(C)1
M END
