Mol:FLIAE8NS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.7883 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7768 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1826 -0.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3383 1.6915 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
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
7 21 2 0 0 0 0
15 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 1.8849 0.8002
S SKP 8
ID FLIAE8NS0008
KNApSAcK_ID C00009858
NAME 5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
CAS_RN 129724-35-2
FORMULA C17H12O7
EXACTMASS 328.058302738
AVERAGEMASS 328.27297999999996
SMILES COc(c(O)4)c(ccc4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1
M END
