Mol:FLIA2LNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5991 -1.6763 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
1 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
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 SVB 2 24 2.1039 -0.8826
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 SVB 1 22 -2.8184 0.423
S SKP 8
ID FLIA2LNS0006
KNApSAcK_ID C00009851
NAME 7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
CAS_RN 73354-23-1
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1
M END
