Mol:FL1CEANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.0159 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3673 0.5467 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 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 13 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -5.0857 4.2386 S SKP 8 ID FL1CEANS0004 KNApSAcK_ID C00007027 NAME 4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone CAS_RN 73694-19-6 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c1)c(C(=O)C=Cc(c3)ccc(O)c3)c(O)c(O2)c(OC2)1 M END