Mol:FL4DA9NS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.4701 0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7574 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7501 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3878 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 -1.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7501 -1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 -0.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9312 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9312 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 0.8941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 4 18 1 0 0 0 0 8 20 1 0 0 0 0 1 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 13 26 1 0 0 0 0 S SKP 8 ID FL4DA9NS0012 KNApSAcK_ID C00014374 NAME 5,7,3'-Trihydroxy-3-O-isobutyrylflavanone CAS_RN 160012-84-0 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)cc3)C(C2=O)OC(=O)C(C)C)1 M END