Mol:FL5F29GF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 0.1512 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1512 0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 -1.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0115 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1082 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 -0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -1.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 -1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2689 -1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -0.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 -1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7567 -1.6096 0.0000 O 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 3 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 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 5 1 0 0 0 0 6 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 21 27 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 S SKP 8 ID FL5F29GF0001 KNApSAcK_ID C00011169 NAME Pongamoside C CAS_RN 713524-65-3 FORMULA C24H22O10 EXACTMASS 470.121296924 AVERAGEMASS 470.42548 SMILES c(o5)(c(cc5)1)c(OC(C4O)OC(CO)C(O)C4O)cc(C(=O)3)c1OC(=C(OC)3)c(c2)cccc2 M END