Mol:FLNAFANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1184 0.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4039 -0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.2383 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
10 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.0084 -1.8258
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 -1.1184 0.1489
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 -1.5997 1.8937
S SKP 8
ID FLNAFANS0001
KNApSAcK_ID C00010203
NAME Exostemin;8-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
CAS_RN 16281-62-2
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c1O)(OC)cc(c(C(c(c3)ccc(OC)c3)=2)c1OC(=O)C2)OC
M END
