Mol:FLNAFCNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1630 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4485 -0.2048 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
2 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
10 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -1.163 0.2077
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 1.9267
S SKP 8
ID FLNAFCNS0002
KNApSAcK_ID C00010231
NAME 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
CAS_RN 123297-24-5
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(O)c(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1
M END
