Mol:FLNACENS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6966 -0.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.0660 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.0084 -1.6535
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 -1.5997 2.066
S SKP 8
ID FLNACENS0001
KNApSAcK_ID C00010245
NAME 5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin
CAS_RN 117783-75-2
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)cc(O2)c(c(O)3)C(=CC(=O)2)c(c1)cc(O)c(OC)c1
M END
