Mol:FL4DA9NS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.5761 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -1.3454 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 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 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 SBV 1 22 -8.2401 4.5248 S SKP 8 ID FL4DA9NS0003 KNApSAcK_ID C00008548 NAME Pinobanksin 5-methyl ether CAS_RN 119309-36-3 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cccc2)C(O)1 M END
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