Mol:Ginsenoside Rg2
From Metabolomics.JP
ACD/Labs02120810122D 55 60 0 0 1 0 0 0 0 0 1 V2000 22.9295 -19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2594 -19.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9155 -18.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2556 -18.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9117 -16.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2416 -16.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 -20.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9338 -20.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2618 -16.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9542 -18.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4460 -4.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -7.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -9.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -7.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -9.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -7.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4461 -5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -6.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -6.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1250 -10.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2266 -10.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7677 -9.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -8.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5039 -4.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5838 -10.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5544 -15.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8843 -15.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5404 -14.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 -14.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5366 -13.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8665 -13.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8730 -15.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5303 -11.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5476 -14.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3754 -11.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8720 -16.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5979 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7497 -4.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9015 -3.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -3.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2942 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4654 -2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 2 1 1 0 0 0 0 5 4 1 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 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 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 20 29 1 1 0 0 0 16 30 1 1 0 0 0 14 31 1 6 0 0 0 14 32 1 1 0 0 0 13 33 1 1 0 0 0 22 34 1 6 0 0 0 24 23 1 0 0 0 0 22 26 1 0 0 0 0 24 35 1 1 0 0 0 18 36 1 6 0 0 0 40 37 1 0 0 0 0 38 37 1 0 0 0 0 41 40 1 0 0 0 0 39 38 1 0 0 0 0 42 41 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 37 1 0 0 0 0 44 46 1 0 0 0 0 47 38 1 0 0 0 0 36 39 1 0 0 0 0 11 28 1 0 0 0 0 3 47 1 0 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 11 48 1 0 0 0 0 11 54 1 1 0 0 0 11 55 1 6 0 0 0 S SKP 5 ID Ginsenoside Rg2 FORMULA C42H72O13 EXACTMASS 784.49729239 AVERAGEMASS 785.01328 SMILES C(C(OC(O6)C(C(O)C(C6CO)O)OC(O5)C(C(C(C5C)O)O)O)4)C(C2C(C)(C34)CCC(C(C)(C)3)O)(C)C(C1C(C2)O)(CCC1C(CCC=C(C)C)(C)O)C M END
