Mol:FLNA29NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.4814 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6477 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7388 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3821 -1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5544 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4403 -1.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5557 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6874 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1389 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7556 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9209 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4694 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2558 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 -0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1746 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1193 0.2037 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
9 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.7782 0.6113
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.4212 1.78
S SKP 8
ID FLNA29NS0002
KNApSAcK_ID C00010193
NAME Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin
CAS_RN 1857-05-2
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)c(OC)cc(c23)C(=CC(=O)O2)c(c1)cccc1
M END
