KEGG:C08917 Trigonelloside C ISISHOST03240423212D 1 1.00000 0.00000 7957 78 86 0 0 0 999 V2000 12.5000 -8.8458 0.0000 C 0 0 2 0 0 0 0 0 0 12.5000 -9.6630 0.0000 O 0 0 0 0 0 0 0 0 0 13.2054 -8.4354 0.0000 C 0 0 1 0 0 0 0 0 0 13.2054 -10.0657 0.0000 C 0 0 1 0 0 0 0 0 0 13.9072 -8.8458 0.0000 C 0 0 2 0 0 0 0 0 0 13.2054 -7.6257 0.0000 O 0 0 0 0 0 0 0 0 0 13.9072 -9.6630 0.0000 C 0 0 2 0 0 0 0 0 0 13.2019 -10.8795 0.0000 C 0 0 0 0 0 0 0 0 0 14.6125 -8.4464 0.0000 O 0 0 0 0 0 0 0 0 0 14.6091 -10.0657 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6334 -14.4818 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6443 -15.2995 0.0000 C 0 0 1 0 0 0 0 0 0 -2.3376 -14.0670 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3450 -15.6982 0.0000 C 0 0 1 0 0 0 0 0 0 -0.9354 -15.7156 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0442 -14.4691 0.0000 C 0 0 2 0 0 0 0 0 0 -3.0543 -15.2814 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3558 -16.5159 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7385 -14.0565 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7596 -15.6788 0.0000 O 0 0 0 0 0 0 0 0 0 2.6041 -14.5416 0.0000 C 0 0 1 0 0 0 0 0 0 3.3103 -14.1385 0.0000 C 0 0 1 0 0 0 0 0 0 2.6066 -15.3504 0.0000 O 0 0 0 0 0 0 0 0 0 4.0151 -14.5376 0.0000 C 0 0 1 0 0 0 0 0 0 3.3053 -13.3184 0.0000 O 0 0 0 0 0 0 0 0 0 3.3139 -15.7608 0.0000 C 0 0 2 0 0 0 0 0 0 4.0067 -15.3565 0.0000 C 0 0 2 0 0 0 0 0 0 4.7166 -14.1332 0.0000 O 0 0 0 0 0 0 0 0 0 3.3081 -16.5704 0.0000 C 0 0 0 0 0 0 0 0 0 4.7172 -15.7572 0.0000 O 0 0 0 0 0 0 0 0 0 1.2166 -12.8958 0.0000 C 0 0 1 0 0 0 0 0 0 1.2097 -13.7144 0.0000 C 0 0 1 0 0 0 0 0 0 0.5261 -12.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0.4962 -14.1007 0.0000 C 0 0 2 0 0 0 0 0 0 1.8938 -14.1331 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1884 -12.8758 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2009 -13.6821 0.0000 C 0 0 1 0 0 0 0 0 0 0.4762 -14.9194 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8825 -12.4509 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9197 -14.0771 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8691 -11.6363 0.0000 O 0 0 0 0 0 0 0 0 0 6.1656 -10.0716 0.0000 C 0 0 1 0 0 0 0 0 0 6.1511 -10.8742 0.0000 C 0 0 2 0 0 0 0 0 0 6.8675 -9.6722 0.0000 C 0 0 2 0 0 0 0 0 0 5.4638 -9.6578 0.0000 C 0 0 0 0 0 0 0 0 0 6.1511 -9.2584 0.0000 C 0 0 0 0 0 0 0 0 0 5.4458 -11.2811 0.0000 C 0 0 1 0 0 0 0 0 0 7.5549 -10.8957 0.0000 C 0 0 0 0 0 0 0 0 0 7.5728 -10.0860 0.0000 C 0 0 2 0 0 0 0 0 0 6.8675 -8.8626 0.0000 C 0 0 1 0 0 0 0 0 0 4.7584 -10.0570 0.0000 C 0 0 0 0 0 0 0 0 0 4.7515 -10.8708 0.0000 C 0 0 2 0 0 0 0 0 0 5.4458 -12.0907 0.0000 C 0 0 0 0 0 0 0 0 0 8.2712 -9.6757 0.0000 O 0 0 0 0 0 0 0 0 0 8.2712 -8.8661 0.0000 C 0 0 2 0 0 0 0 0 0 6.2914 -8.2830 0.0000 C 0 0 0 0 0 0 0 0 0 4.0497 -11.2700 0.0000 C 0 0 2 0 0 0 0 0 0 4.7481 -12.4901 0.0000 C 0 0 0 0 0 0 0 0 0 8.9800 -8.4523 0.0000 C 0 0 0 0 0 0 0 0 0 8.2636 -8.0530 0.0000 O 0 0 0 0 0 0 0 0 0 4.0462 -12.0797 0.0000 C 0 0 0 0 0 0 0 0 0 3.3444 -10.8708 0.0000 C 0 0 0 0 0 0 0 0 0 4.0428 -10.4570 0.0000 C 0 0 0 0 0 0 0 0 0 9.6708 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 3.3444 -12.4901 0.0000 C 0 0 0 0 0 0 0 0 0 2.6425 -11.2700 0.0000 C 0 0 0 0 0 0 0 0 0 10.3837 -8.4523 0.0000 C 0 0 1 0 0 0 0 0 0 2.6425 -12.0797 0.0000 C 0 0 2 0 0 0 0 0 0 11.0780 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 10.3761 -7.6427 0.0000 C 0 0 0 0 0 0 0 0 0 1.9337 -12.4901 0.0000 O 0 0 0 0 0 0 0 0 0 6.1476 -11.6949 0.0000 H 0 0 0 0 0 0 0 0 0 6.8565 -10.4929 0.0000 H 0 0 0 0 0 0 0 0 0 5.4424 -10.4494 0.0000 H 0 0 0 0 0 0 0 0 0 8.2892 -10.4963 0.0000 H 0 0 0 0 0 0 0 0 0 4.7481 -11.6949 0.0000 H 0 0 0 0 0 0 0 0 0 11.7875 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 12.4857 -11.2890 0.0000 O 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 6 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 7 10 1 6 0 0 5 7 1 0 0 0 12 15 1 6 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 1 6 0 0 16 19 1 6 0 0 17 20 1 1 0 0 31 32 1 0 0 0 31 33 1 0 0 0 32 34 1 0 0 0 32 35 1 6 0 0 33 36 1 0 0 0 34 37 1 0 0 0 34 38 1 1 0 0 36 39 1 1 0 0 37 40 1 6 0 0 39 41 1 0 0 0 36 37 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 22 25 1 6 0 0 23 26 1 0 0 0 24 27 1 0 0 0 24 28 1 6 0 0 26 29 1 6 0 0 27 30 1 1 0 0 26 27 1 0 0 0 16 17 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 42 43 1 0 0 0 42 44 1 0 0 0 42 45 1 0 0 0 42 46 1 1 0 0 43 47 1 0 0 0 43 48 1 0 0 0 44 49 1 0 0 0 44 50 1 0 0 0 45 51 1 0 0 0 47 52 1 0 0 0 47 53 1 0 0 0 49 54 1 0 0 0 50 55 1 0 0 0 50 56 1 6 0 0 52 57 1 0 0 0 53 58 1 0 0 0 55 59 1 0 0 0 55 60 1 6 0 0 57 61 1 0 0 0 57 62 1 0 0 0 57 63 1 1 0 0 59 64 1 0 0 0 61 65 1 0 0 0 62 66 1 0 0 0 64 67 1 0 0 0 65 68 1 0 0 0 67 69 1 0 0 0 67 70 1 6 0 0 68 71 1 1 0 0 48 49 1 0 0 0 51 52 1 0 0 0 54 55 1 0 0 0 58 61 2 0 0 0 66 68 1 0 0 0 43 72 1 6 0 0 44 73 1 6 0 0 47 74 1 1 0 0 49 75 1 6 0 0 52 76 1 6 0 0 31 71 1 1 0 0 21 35 1 1 0 0 11 40 1 1 0 0 69 77 1 0 0 0 1 77 1 1 0 0 1 2 1 0 0 0 8 78 1 0 0 0 M END