Mol:FL2FDBNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.4308 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4308 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3182 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3182 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2056 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2056 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7619 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4845 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4845 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0735 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7880 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7880 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2880 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3109 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5964 -1.4262 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -2.3109 -1.0137
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.788 0.7291
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 2.0735 1.4262
S SKP 8
ID FL2FDBNS0001
KNApSAcK_ID C00008229
NAME Naringenin trimethyl ether
CAS_RN 38302-15-7
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES c(C(C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1
M END
