Mol:FL1CHYNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 -1.9517 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 -0.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5077 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 1.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 1.5878 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 9 18 1 0 0 0 0 6 19 1 0 0 0 0 5 20 1 0 0 0 0 2 21 1 0 0 0 0 19 22 2 0 0 0 0 23 24 1 0 0 0 0 1 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -2.3089 0.7218 S SKP 8 ID FL1CHYNM0001 KNApSAcK_ID C00006999 NAME 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone CAS_RN 59677-77-9 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES C(c(c2O)c(c(c(c2C)OC)C=O)O)(=O)C=C(O)c(c1)cccc1 M END