Mol:Ginsenoside Rd
From Metabolomics.JP
ACD/Labs12010716522D 72 78 0 0 1 0 0 0 0 0 1 V2000 21.1979 -17.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1979 -18.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 -16.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 -19.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8943 -17.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8943 -18.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 -20.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8941 -21.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7425 -19.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3499 -16.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3499 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5018 -11.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5018 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3499 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1981 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1981 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8055 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8055 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6536 -13.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1092 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1092 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9573 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9573 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4129 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4129 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2610 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2610 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5648 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5648 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4129 -8.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2611 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8685 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8685 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7166 -8.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7165 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8683 -4.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5647 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4130 -5.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2612 -4.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1093 -5.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9576 -4.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1093 -6.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7024 -4.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0202 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3238 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3238 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1719 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1719 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0202 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3238 -9.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1721 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7424 -16.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 -15.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3196 -18.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0463 -13.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0463 -10.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3499 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1981 -8.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5018 -14.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7264 -14.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2042 -14.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4937 -14.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1092 -10.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4129 -10.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4128 -7.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5648 -8.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5404 -12.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8383 -8.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.1719 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4756 -4.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4756 -7.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2469 -12.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 4 7 1 6 0 0 0 6 4 1 0 0 0 0 8 7 1 0 0 0 0 6 9 1 1 0 0 0 1 10 1 0 0 0 0 3 1 1 0 0 0 0 10 11 1 6 0 0 0 14 12 1 0 0 0 0 11 13 1 0 0 0 0 16 11 1 0 0 0 0 16 15 1 0 0 0 0 18 19 1 1 0 0 0 13 19 1 0 0 0 0 13 12 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 17 1 0 0 0 0 25 24 1 0 0 0 0 27 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 20 1 0 0 0 0 30 28 1 0 0 0 0 24 29 1 0 0 0 0 31 30 1 0 0 0 0 26 24 1 0 0 0 0 26 31 1 0 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 28 34 1 0 0 0 0 29 28 1 0 0 0 0 34 35 1 0 0 0 0 29 33 1 0 0 0 0 35 36 1 0 0 0 0 37 35 1 0 0 0 0 38 37 1 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 40 42 1 0 0 0 0 35 43 1 1 0 0 0 44 36 1 1 0 0 0 46 45 1 0 0 0 0 47 45 1 0 0 0 0 44 47 1 0 0 0 0 49 48 1 0 0 0 0 49 44 1 0 0 0 0 48 46 1 0 0 0 0 51 50 1 0 0 0 0 48 51 1 1 0 0 0 5 52 1 6 0 0 0 3 53 1 1 0 0 0 1 54 1 1 0 0 0 16 55 1 1 0 0 0 14 57 1 1 0 0 0 58 57 1 0 0 0 0 15 14 1 0 0 0 0 15 56 1 6 0 0 0 13 59 1 6 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 21 62 1 6 0 0 0 20 63 1 1 0 0 0 24 64 1 1 0 0 0 30 65 1 1 0 0 0 28 66 1 1 0 0 0 29 67 1 6 0 0 0 34 68 1 6 0 0 0 47 69 1 6 0 0 0 45 70 1 1 0 0 0 46 71 1 6 0 0 0 26 72 1 6 0 0 0 S SKP 5 ID Ginsenoside Rd FORMULA C48H82O18 EXACTMASS 946.55011582 AVERAGEMASS 947.15388 SMILES C(C1)(O)C(C([H])6C(C)(CCC=C(C)C)OC(C(O)7)OC(CO)C(C(O)7)O)([H])C(C)(CC6)C(C)(C5)C1(C(C2)(C)C(C5)(C(C)(C)C(OC(O3)(C(OC([H])(C(O)4)OC(C(O)C4O)CO)C(O)C(C3CO)O)[H])C2)[H])[H] M END
