Mol:20S-Ginsenoside Rg3
From Metabolomics.JP
ACD/Labs02120811062D 55 60 0 0 1 0 0 0 0 0 1 V2000 15.1424 -8.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1424 -9.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0964 -10.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0505 -9.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0505 -8.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0964 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0045 -10.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -9.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -8.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0045 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -7.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0045 -7.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8208 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8208 -7.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8667 -6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -7.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0505 -7.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5456 -11.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6472 -11.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1883 -10.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -9.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2094 -13.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5393 -13.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1954 -12.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5355 -12.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1916 -11.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5215 -11.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5280 -14.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1853 -10.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -12.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0304 -9.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5270 -15.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5524 -18.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8823 -18.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 -17.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8785 -17.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 -16.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8645 -16.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8909 -20.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 -17.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4975 -15.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3275 -14.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8670 -18.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9245 -5.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8666 -5.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0185 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1703 -5.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3221 -4.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4739 -5.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6257 -4.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4739 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7148 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8664 -3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 9 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 6 0 0 0 3 21 1 1 0 0 0 2 22 1 1 0 0 0 11 23 1 6 0 0 0 27 24 1 0 0 0 0 25 24 1 0 0 0 0 28 27 1 0 0 0 0 26 25 1 0 0 0 0 29 28 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 24 1 0 0 0 0 31 33 1 0 0 0 0 34 25 1 0 0 0 0 38 35 1 0 0 0 0 36 35 1 0 0 0 0 39 38 1 0 0 0 0 37 36 1 0 0 0 0 40 39 1 0 0 0 0 40 37 1 0 0 0 0 41 36 1 0 0 0 0 42 35 1 0 0 0 0 43 39 1 0 0 0 0 44 43 1 0 0 0 0 45 38 1 0 0 0 0 34 37 1 0 0 0 0 22 26 1 0 0 0 0 13 12 1 0 0 0 0 11 15 1 0 0 0 0 13 46 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 47 48 1 0 0 0 0 47 54 1 1 0 0 0 17 47 1 1 0 0 0 47 55 1 6 0 0 0 S SKP 5 ID 20S-Ginsenoside Rg3 FORMULA C42H72O13 EXACTMASS 784.49729239 AVERAGEMASS 785.01328 SMILES C(C1)C(C(CCC=C(C)C)(C)O)C(C(O)6)C(C)1C(C5)(C)C(C6)C(C(C5)2)(CCC(OC(C3OC(C4O)OC(CO)C(O)C4O)OC(CO)C(C3O)O)C(C)(C)2)C M END
