Mol:FL2FAIGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.0500 0.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 -0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 -0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 0.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4617 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1777 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 1.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 2.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 -2.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 -2.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 -2.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 -1.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -1.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3784 -2.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 -2.9632 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 1 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 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 19 1 0 0 0 0 S SKP 8 ID FL2FAIGS0001 KNApSAcK_ID C00014350 NAME Peruvianoside I;Pervianoside I;(2R)-5,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside CAS_RN 450407-24-6 FORMULA C23H26O12 EXACTMASS 494.142426296 AVERAGEMASS 494.44534 SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(c(cc3O)1)C(=O)CC(c(c2)cc(c(c(OC)2)O)OC)O1 M END