Mol:Astragaloside IV
From Metabolomics.JP
ACD/Labs11090716232D 60 67 0 0 1 0 0 0 0 0 1 V2000 14.9806 -15.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9806 -17.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 -15.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 -17.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6770 -15.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6770 -17.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2843 -15.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2843 -17.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1324 -17.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5880 -15.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5880 -17.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4361 -15.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4361 -17.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -15.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -17.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7398 -15.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7398 -17.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0436 -13.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0436 -15.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -13.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7399 -13.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3473 -13.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3473 -15.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1954 -13.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5251 -17.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5880 -14.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0436 -12.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4991 -13.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -19.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7399 -19.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1954 -19.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1954 -21.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0435 -19.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0435 -21.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -21.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3472 -19.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5251 -15.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 -19.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9806 -18.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5880 -18.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9872 -16.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3331 -12.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0435 -17.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7399 -20.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3472 -21.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1954 -10.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5029 -8.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8441 -8.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1018 -9.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2720 -9.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1195 -11.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6304 -7.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9697 -8.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9844 -6.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8520 -6.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8207 -19.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5067 -18.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0434 -23.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 -23.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 9 1 1 0 0 0 2 9 1 0 0 0 0 2 1 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 7 1 0 0 0 0 15 14 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 10 1 0 0 0 0 20 18 1 0 0 0 0 14 19 1 0 0 0 0 21 20 1 0 0 0 0 16 14 1 0 0 0 0 16 21 1 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 18 24 1 0 0 0 0 19 18 1 0 0 0 0 23 19 1 0 0 0 0 6 25 1 1 0 0 0 10 26 1 1 0 0 0 16 26 1 1 0 0 0 14 27 1 1 0 0 0 18 28 1 1 0 0 0 22 29 1 1 0 0 0 17 15 1 0 0 0 0 31 30 1 0 0 0 0 17 31 1 6 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 30 34 1 0 0 0 0 36 35 1 0 0 0 0 36 30 1 0 0 0 0 32 37 1 1 0 0 0 5 38 1 6 0 0 0 4 39 1 6 0 0 0 2 40 1 6 0 0 0 11 41 1 6 0 0 0 19 42 1 6 0 0 0 24 43 1 6 0 0 0 34 44 1 6 0 0 0 30 45 1 6 0 0 0 33 46 1 6 0 0 0 24 47 1 0 0 0 0 49 48 1 0 0 0 0 50 48 1 0 0 0 0 51 49 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 47 52 1 6 0 0 0 49 53 1 1 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 35 33 1 0 0 0 0 35 59 1 1 0 0 0 60 59 1 0 0 0 0 S SKP 5 ID Astragaloside IV FORMULA C41H68O14 EXACTMASS 784.460906884 AVERAGEMASS 784.9702199999999 SMILES [H]C(C(C)(C)7)(C(CCC7OC(O8)([H])C(O)C(C(O)C8)O)23)C(CC([H])(C(C)46)C(CCC(C(C(C6)O)([H])C(C5)(C)OC(C(C)(C)O)C5)4C)2C3)OC(C1O)([H])OC(CO)C(C1O)O M END
