Mol:FL1C1LNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 2.0086 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -0.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -0.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 0.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1259 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1259 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 0.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -0.9477 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 3 17 1 0 0 0 0 5 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 16 25 1 0 0 0 0 S SKP 8 ID FL1C1LNI0001 KNApSAcK_ID C00007091 NAME Morachalcone A CAS_RN 76472-88-3 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES Oc(c2)cc(O)c(c2)C=CC(=O)c(c1)c(O)c(c(O)c1)CC=C(C)C M END
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