Mol:FLNACCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 2.9651 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
10 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -1.5997 2.099
S SKP 8
ID FLNACCNS0001
KNApSAcK_ID C00010208
NAME 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin
CAS_RN 112078-72-5
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)cc(O2)c(c(O)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1
M END
