Mol:FL2FAANI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.7930 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 -1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7823 1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 0.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 -1.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 1.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 -1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -1.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -1.5963 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 S SKP 8 ID FL2FAANI0022 KNApSAcK_ID C00014179 NAME (2S)-5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone CAS_RN 192572-93-3 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C=CC(C)(C)c(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)ccc(O)c1 M END