Mol:Ginsenoside Rb1
From Metabolomics.JP
ACD/Labs11100715112D 83 90 0 0 1 0 0 0 0 0 1 V2000 20.0442 -17.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0442 -18.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 -16.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 -19.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7406 -17.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7406 -18.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 -20.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7404 -21.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5888 -19.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1962 -16.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1962 -13.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3481 -11.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3481 -12.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1962 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0444 -11.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0444 -12.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6518 -11.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6518 -12.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4999 -13.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9555 -11.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9555 -12.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8036 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8036 -13.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2592 -11.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2592 -12.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1073 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1073 -13.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4111 -9.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4111 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2592 -8.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1074 -9.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7148 -9.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7148 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5629 -8.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5628 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7146 -4.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4110 -4.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2593 -5.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1075 -4.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9556 -5.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8039 -4.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9556 -6.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5487 -4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8665 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1701 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1701 -6.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0182 -4.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0182 -7.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8665 -6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1701 -9.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0184 -8.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1701 -10.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3219 -11.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0182 -11.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3218 -12.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0182 -12.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1700 -13.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5887 -16.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 -15.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1659 -17.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8926 -13.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8926 -10.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1962 -9.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0444 -8.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3481 -14.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5727 -14.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0505 -14.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3400 -14.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9555 -10.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2592 -10.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2591 -7.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4111 -8.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.3867 -11.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6846 -8.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0182 -3.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3219 -4.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3219 -7.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8664 -10.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8664 -13.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1699 -14.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4736 -13.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6255 -12.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0932 -12.0100 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 53 52 1 0 0 0 0 54 52 1 0 0 0 0 56 54 1 0 0 0 0 57 55 1 0 0 0 0 57 56 1 0 0 0 0 52 50 1 6 0 0 0 5 58 1 6 0 0 0 3 59 1 1 0 0 0 1 60 1 1 0 0 0 16 61 1 1 0 0 0 14 63 1 1 0 0 0 64 63 1 0 0 0 0 15 14 1 0 0 0 0 15 62 1 6 0 0 0 13 65 1 6 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 21 68 1 6 0 0 0 20 69 1 1 0 0 0 24 70 1 1 0 0 0 30 71 1 1 0 0 0 28 72 1 1 0 0 0 29 73 1 6 0 0 0 34 74 1 6 0 0 0 47 75 1 6 0 0 0 45 76 1 1 0 0 0 46 77 1 6 0 0 0 54 78 1 1 0 0 0 56 79 1 6 0 0 0 57 80 1 1 0 0 0 81 82 1 0 0 0 0 55 81 1 6 0 0 0 55 53 1 0 0 0 0 26 83 1 6 0 0 0 S SKP 5 ID Ginsenoside Rb1 FORMULA C54H92O23 EXACTMASS 1108.60293925 AVERAGEMASS 1109.29448 SMILES C(OC(O8)(C(C(C(O)C8CO)O)OC(O7)(C(O)C(C(C7CO)O)O)[H])[H])(C1(C)C)CCC(C)(C2([H])6)C([H])(CCC2(C)C(C3([H])C(O)C6)(C)CCC(C(C)(OC(C5O)OC(C(C5O)O)COC(O4)C(C(O)C(O)C(CO)4)O)CCC=C(C)C)([H])3)1 M END
