Mol:FLIH1LNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 2 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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
9 17 2 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.0247 -0.8826
S SKP 8
ID FLIH1LNS0001
KNApSAcK_ID C00009781
NAME 7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin
CAS_RN 54300-95-7
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)cc(O)c(c3)C(=C1)C(=O)Oc(c2)c(ccc(O)2)1
M END
