Mol:Ginsenoside F3
From Metabolomics.JP
ACD/Labs02100814592D 54 59 0 0 1 0 0 0 0 0 1 V2000 24.2922 -8.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2922 -9.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2462 -10.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2003 -9.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2003 -8.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2462 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -10.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -9.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -8.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0625 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0625 -6.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -6.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -6.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9706 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9706 -6.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0165 -6.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2003 -7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6954 -10.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7970 -10.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3381 -10.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0625 -8.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0743 -5.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1683 -4.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3201 -4.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4719 -4.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6237 -4.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7755 -4.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6237 -6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0164 -4.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0194 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6737 -9.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0036 -9.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6597 -8.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9998 -8.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6559 -7.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9858 -7.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6669 -8.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9913 -10.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9916 -6.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8646 -4.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3592 -7.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6891 -7.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3452 -6.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6853 -6.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3414 -5.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6713 -5.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6778 -7.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3351 -4.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3524 -6.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1802 -3.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6768 -9.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -11.3666 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 13 12 1 0 0 0 0 11 15 1 0 0 0 0 13 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 25 31 1 0 0 0 0 17 31 1 1 0 0 0 31 32 1 6 0 0 0 36 33 1 0 0 0 0 34 33 1 0 0 0 0 37 36 1 0 0 0 0 35 34 1 0 0 0 0 38 37 1 0 0 0 0 38 35 1 0 0 0 0 39 33 1 0 0 0 0 40 34 1 0 0 0 0 41 36 1 0 0 0 0 46 43 1 0 0 0 0 44 43 1 0 0 0 0 47 46 1 0 0 0 0 45 44 1 0 0 0 0 48 47 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 43 1 0 0 0 0 50 52 1 0 0 0 0 53 44 1 0 0 0 0 42 45 1 0 0 0 0 35 52 1 0 0 0 0 31 42 1 0 0 0 0 7 54 1 6 0 0 0 S SKP 5 ID Ginsenoside F3 FORMULA C41H70O13 EXACTMASS 770.481642326 AVERAGEMASS 770.9867 SMILES C(CC(C)(OC(C6O)OC(C(O)C6O)COC(C(O)5)OCC(C5O)O)C(C21)CCC(C(C4)(C)C(C(C3C4O)(CCC(C3(C)C)O)C)CC(O)2)(C)1)C=C(C)C M END
