Mol:FL1CA9NM0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 5 17 1 0 0 0 0 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 2 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 S SKP 8 ID FL1CA9NM0006 KNApSAcK_ID C00014419 NAME Leridal chalcone;(E)-2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxo-3-phenyl-2-propenyl)benzaldehyde CAS_RN 177602-75-4 FORMULA C18H16O5 EXACTMASS 312.099773622 AVERAGEMASS 312.31664 SMILES c(c2OC)(c(c(c(c2C=O)O)C(=O)C=Cc(c1)cccc1)O)C M END