Mol:Ginsenoside Rs2
From Metabolomics.JP
ACD/Labs02120819112D 78 85 0 0 1 0 0 0 0 0 1 V2000 24.6447 -9.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6447 -10.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5987 -10.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 -10.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 -9.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5987 -8.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5068 -10.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4609 -10.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4609 -9.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5068 -8.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4150 -8.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4150 -7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4609 -6.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5068 -7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3231 -8.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3231 -7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3690 -6.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4609 -8.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 -8.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0479 -11.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1495 -11.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6906 -10.7578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4150 -9.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7117 -14.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0416 -14.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6977 -13.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0378 -13.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6939 -12.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0238 -12.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0303 -14.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6876 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7049 -13.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5327 -10.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0293 -15.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0547 -19.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3846 -19.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0407 -18.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3808 -18.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0369 -16.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3668 -16.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3932 -20.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0780 -17.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0799 -15.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9099 -14.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3693 -19.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4268 -5.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3689 -5.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5208 -4.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6726 -5.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8244 -4.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9762 -5.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1280 -4.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9762 -6.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3820 -4.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3621 -6.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6921 -6.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3481 -5.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6883 -5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3444 -4.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6742 -4.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7006 -8.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3854 -5.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3072 -3.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6767 -7.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3982 -2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7771 -15.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6072 -14.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8143 -16.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9811 -7.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3111 -7.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3196 -9.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9750 -6.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5602 -6.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6300 -5.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7122 -6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5758 -7.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7548 -5.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4318 -8.5690 0.0000 O 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 6 0 0 0 58 55 1 0 0 0 0 56 55 1 0 0 0 0 59 58 1 0 0 0 0 57 56 1 0 0 0 0 60 59 1 0 0 0 0 60 57 1 0 0 0 0 61 56 1 0 0 0 0 62 55 1 0 0 0 0 63 59 1 0 0 0 0 64 58 1 0 0 0 0 57 65 1 0 0 0 0 47 65 1 0 0 0 0 17 47 1 1 0 0 0 44 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 2 0 0 0 0 71 70 1 0 0 0 0 72 69 1 0 0 0 0 73 69 1 0 0 0 0 70 69 1 0 0 0 0 74 73 1 0 0 0 0 75 70 1 0 0 0 0 75 74 1 0 0 0 0 76 73 1 0 0 0 0 77 75 1 0 0 0 0 63 77 1 0 0 0 0 76 78 1 0 0 0 0 S SKP 5 ID Ginsenoside Rs2 FORMULA C55H92O23 EXACTMASS 1120.60293925 AVERAGEMASS 1121.30518 SMILES OC(C8CO)C(O)C(O8)OCC(O1)C(O)C(C(C1OC(C)(C(C72)CCC(C(C)(C(CC7O)3)CCC(C(C)(C)4)C(C)(CCC4OC(C5OC(C(O)6)OC(C(C6O)O)COC(C)=O)OC(CO)C(C(O)5)O)3)2C)CCC=C(C)C)O)O M END
