Mol:FLNADCNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5794 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2144 -2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 2.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1184 0.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4039 -0.0317 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 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 26
M SMT 2 OCH3
M SVB 2 26 -1.1184 0.3808
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.5997 2.1256
S SKP 8
ID FLNADCNS0002
KNApSAcK_ID C00010206
NAME 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
CAS_RN 94345-23-0
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c41)(OCO4)ccc(C(c32)=CC(=O)Oc2cc(OC)cc3OC)c1
M END
