Mol:Ginsenoside Rb3
From Metabolomics.JP
ACD/Labs02120816592D 75 82 0 0 1 0 0 0 0 0 1 V2000 19.7407 -7.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0707 -7.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7267 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0669 -6.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7230 -5.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0528 -5.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0792 -9.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7640 -6.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7427 -5.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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 19.0824 -8.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 2 1 1 0 0 0 0 5 4 1 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 18 27 1 1 0 0 0 14 28 1 1 0 0 0 12 29 1 6 0 0 0 12 30 1 1 0 0 0 11 31 1 1 0 0 0 20 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 36 1 0 0 0 0 40 37 1 0 0 0 0 41 33 1 0 0 0 0 40 42 1 0 0 0 0 43 34 1 0 0 0 0 47 44 1 0 0 0 0 45 44 1 0 0 0 0 48 47 1 0 0 0 0 46 45 1 0 0 0 0 49 48 1 0 0 0 0 49 46 1 0 0 0 0 50 45 1 0 0 0 0 51 44 1 0 0 0 0 52 48 1 0 0 0 0 53 52 1 0 0 0 0 54 47 1 0 0 0 0 43 46 1 0 0 0 0 31 35 1 0 0 0 0 22 21 1 0 0 0 0 20 24 1 0 0 0 0 22 55 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 56 57 1 0 0 0 0 56 63 1 6 0 0 0 26 56 1 0 0 0 0 67 64 1 0 0 0 0 65 64 1 0 0 0 0 68 67 1 0 0 0 0 66 65 1 0 0 0 0 69 68 1 0 0 0 0 69 66 1 0 0 0 0 70 65 1 0 0 0 0 71 64 1 0 0 0 0 72 68 1 0 0 0 0 73 67 1 0 0 0 0 66 74 1 0 0 0 0 56 74 1 0 0 0 0 9 72 1 0 0 0 0 75 4 1 0 0 0 0 S SKP 5 ID Ginsenoside Rb3 FORMULA C53H90O22 EXACTMASS 1078.592374564 AVERAGEMASS 1079.2685000000001 SMILES CC(C)(C1OC(O7)C(OC(C8O)OC(CO)C(C8O)O)C(C(C7CO)O)O)C(C2)C(C(C6)C(C(C(C6O)3)(CCC3C(CCC=C(C)C)(C)OC(O4)C(C(C(C4COC(O5)C(C(O)C(O)C5)O)O)O)O)C)(C)C2)(C)CC1 M END
