Mol:FL3FALNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.9301 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 -0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -1.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 -1.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -0.8633 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4073 -0.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -2.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 2.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 2.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 1.5849 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 20 25 1 0 0 0 0 25 22 2 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 1 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 -2.2874 0.7189 S SKP 8 ID FL3FALNR0001 KNApSAcK_ID C00004041 NAME Dihydrocycloartomunin CAS_RN 135023-16-4 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES C(C(C=23)Oc(c1C2Oc(c4CC=C(C)C)c(c(cc4OC)O)C3=O)cc(O)c(O)c1)=C(C)C M END