Mol:FLIAFCNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.9626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5187 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 -0.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 8 9 2 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 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 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 -1.1282 1.8157 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -1.8427 -0.2026 S SKP 8 ID FLIAFCNS0002 KNApSAcK_ID C00009478 NAME Platycarpanetin CAS_RN 53505-60-5 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c41)(OCO4)ccc(C(C2=O)=COc(c3OC)c(c(OC)cc3O)2)c1 M END
</pre>