Mol:FL2FACGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.8606 2.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 2.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8575 1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 2.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 2.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 2.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 2.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 2.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 3.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 4.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 3.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 2.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 4.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 2.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7294 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 1.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2922 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 -0.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 0.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 -1.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7349 -1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1072 -2.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 -3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -3.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -4.0880 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 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 4 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 32 28 1 0 0 0 0 25 21 1 0 0 0 0 S SKP 8 ID FL2FACGS0018 KNApSAcK_ID C00014339 NAME (2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside) CAS_RN 522623-06-9 FORMULA C30H28O13 EXACTMASS 596.152990982 AVERAGEMASS 596.53552 SMILES C(C(O)5)(C(OC(C5O)Oc(c(O)4)cc(cc4)C(C2)Oc(c3)c(c(O)cc3O)C2=O)COC(C=Cc(c1)ccc(O)c1)=O)O M END