Mol:FL2FAENS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.1291 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6292 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.8988 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 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 7 20 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -6.7371 4.3886 S SKP 8 ID FL2FAENS0001 KNApSAcK_ID C00000968 NAME Hesperetin CAS_RN 520-33-2 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c3)c(O)cc(c3)C([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 M END