Mol:FL1D1CNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -3.5193 0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0903 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0903 0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 -0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -1.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0523 0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 0.0530 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 1 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL1D1CNP0002 KNApSAcK_ID C00014616 NAME Crotin (chalcone);3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']dihydrochalcone CAS_RN 255831-48-2 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES c(c(O)1)(O)ccc(CCC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c1 M END