Mol:FLIAEANS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8616 2.1723 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
14 18 1 0 0 0 0
2 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
1 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 -2.3617 1.3062
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 -1.8846 -0.4366
S SKP 8
ID FLIAEANS0007
KNApSAcK_ID C00009464
NAME Muningin;6,4'-Dihydroxy-5,7-dimethoxyisoflavone
CAS_RN 479-83-4
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(O)c(OC)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)1
M END
