Mol:FLNADCNS0002
From Metabolomics.JP
<pre> 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
</pre>