Mol:FL2FAANF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.8767 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 1.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 0.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6169 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7993 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 -1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4607 -1.5418 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL2FAANF0005 KNApSAcK_ID C00014210 NAME 5,4,-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone CAS_RN 192572-99-9 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES Oc(c1)ccc(C(C4)Oc(c2)c(C(=O)4)c(c(C3(C)C)c2OC3C)O)c1 M END