Mol:Ginsenoside La
From Metabolomics.JP
ACD/Labs02100815092D 55 61 0 0 1 0 0 0 0 0 1 V2000 24.2121 -11.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2121 -12.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1661 -12.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1202 -12.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1202 -11.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1661 -10.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0742 -12.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0283 -12.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0283 -11.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0742 -10.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9824 -10.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9824 -9.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0742 -9.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8905 -10.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8905 -9.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9364 -9.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0283 -10.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1202 -10.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6153 -13.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7169 -13.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2580 -12.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9824 -11.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2791 -16.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6090 -16.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2651 -15.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6052 -15.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2613 -14.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5912 -14.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5977 -16.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2550 -12.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2723 -15.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1001 -12.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5967 -17.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9569 -9.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6322 -8.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1005 -8.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3512 -7.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2527 -7.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5877 -6.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2577 -6.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5927 -5.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5927 -7.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9350 -9.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6571 -6.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6692 -17.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9991 -17.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6552 -16.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9953 -16.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6514 -15.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9813 -15.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9878 -17.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6451 -13.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6624 -16.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4902 -13.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9868 -18.8524 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 10 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 9 17 1 1 0 0 0 5 18 1 1 0 0 0 3 19 1 6 0 0 0 3 20 1 1 0 0 0 2 21 1 1 0 0 0 11 22 1 6 0 0 0 26 23 1 0 0 0 0 24 23 1 0 0 0 0 27 26 1 0 0 0 0 25 24 1 0 0 0 0 28 27 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 23 1 0 0 0 0 30 32 1 0 0 0 0 33 24 1 0 0 0 0 21 25 1 0 0 0 0 11 14 1 0 0 0 0 16 12 1 0 0 0 0 36 16 1 0 0 0 0 38 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 12 34 1 0 0 0 0 13 34 1 0 0 0 0 34 35 1 1 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 36 43 1 1 0 0 0 36 44 1 6 0 0 0 48 45 1 0 0 0 0 46 45 1 0 0 0 0 49 48 1 0 0 0 0 47 46 1 0 0 0 0 50 49 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 45 1 0 0 0 0 52 54 1 0 0 0 0 55 46 1 0 0 0 0 44 47 1 0 0 0 0 S SKP 5 ID Ginsenoside La FORMULA C42H70O13 EXACTMASS 782.481642326 AVERAGEMASS 782.9974 SMILES C(C(OC(O7)C(O)C(O)C(C(CO)7)O)6)(C(C5)C(CC6)(C(C1)C(C)(C5)C(C4)(C(C2C4)C1OC(CC2(C)OC(O3)C(C(O)C(O)C3CO)O)C=C(C)C)C)C)(C)C M END
