Mol:FLNA49NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.1438 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 1.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6984 0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1272 2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0009 2.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
9 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.501 1.6423
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.3094 1.9177
S SKP 8
ID FLNA49NS0001
KNApSAcK_ID C00010198
NAME Kuhlmannin;6-Hydroxy-7,8-dimethoxy-4-phenylcoumarin
CAS_RN 20972-79-6
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c(O)3)c(OC)c(O2)c(c3)C(=CC(=O)2)c(c1)cccc1
M END
