Mol:FL4DCANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1973 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4847 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7647 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6642 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0557 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7432 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7897 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3892 0.4203 0.0000 C 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 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 4 18 1 0 0 0 0 8 21 1 6 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 19 25 1 0 0 0 0 S SKP 8 ID FL4DCANS0003 KNApSAcK_ID C00014376 NAME (2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone CAS_RN 140614-82-0 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c21)(O)cc(OC)cc(OC(c(c3)ccc(O)c3)C(C2=O)OC(C)=O)1 M END