Mol:FL3FACND0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.0777 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0777 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1966 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 1.9096 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 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 6 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 4 1 0 0 0 0 13 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 22 29 1 0 0 0 0 21 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 S SKP 8 ID FL3FACND0001 KNApSAcK_ID C00013451 NAME Epimedokoreanin A;2-(3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-4-one CAS_RN 157998-97-5 FORMULA C25H24O8 EXACTMASS 452.14711774399996 AVERAGEMASS 452.45326 SMILES OC(C(C)(C)5)C(c(c4O5)cc(cc4O)C(O3)=CC(=O)c(c23)c(cc(c21)OC(C1)C(C)=C)O)O M END