Mol:FLIAE8NS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8366 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2803 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2803 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3886 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3886 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9447 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9447 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1343 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1343 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2803 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3929 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8366 0.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5511 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5511 0.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 -0.1273 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
16 20 1 0 0 0 0
20 21 1 0 0 0 0
2 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 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -5.3097 6.0196
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 ^OCH3
M SBV 2 24 -6.3213 5.5269
S SKP 8
ID FLIAE8NS0005
KNApSAcK_ID C00009825
NAME 5,7-Dihydroxy-6,2'-dimethoxyisoflavone
CAS_RN 94285-21-9
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(ccc3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1
M END
