Mol:FL1CRTNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 0.3472 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5724 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0268 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0268 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1321 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1321 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6846 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 -0.8982 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 2 12 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 18 21 1 0 0 0 0 5 22 1 0 0 0 0 9 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 25 M SMT 1 OCH3 M SBV 1 25 -5.6537 3.1384 S SKP 8 ID FL1CRTNI0001 KNApSAcK_ID C00007056 NAME Licochalcone C CAS_RN 144506-14-9 FORMULA C21H22O4 EXACTMASS 338.151809192 AVERAGEMASS 338.39698 SMILES c(OC)(c(C=CC(=O)c(c2)ccc(O)c2)1)c(c(O)cc1)CC=C(C)C M END