Mol:FL1C1ANP0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 1.4578 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 1.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1267 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4642 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 1.3614 0.0000 O 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 5 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 14 25 1 0 0 0 0 S SKP 8 ID FL1C1ANP0003 KNApSAcK_ID C00007062 NAME Bavachromanol CAS_RN 74061-77-1 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES Oc(c3)ccc(c3)C=CC(=O)c(c2)c(c1c(c2)O)OC(C)(C)C(O)C1 M END
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