KEGG:C08973 Rotundioside B ISISHOST03240423212D 1 1.00000 0.00000 8013 84 92 0 0 0 999 V2000 20.7123 -17.7410 0.0000 O 0 0 0 0 0 0 0 0 0 20.7155 -18.5666 0.0000 C 0 0 2 0 0 0 0 0 0 20.0036 -18.9839 0.0000 O 0 0 0 0 0 0 0 0 0 21.4308 -18.9894 0.0000 C 0 0 1 0 0 0 0 0 0 19.9957 -19.8095 0.0000 C 0 0 1 0 0 0 0 0 0 21.4306 -19.8184 0.0000 C 0 0 2 0 0 0 0 0 0 22.1540 -18.5755 0.0000 O 0 0 0 0 0 0 0 0 0 20.7075 -20.2246 0.0000 C 0 0 2 0 0 0 0 0 0 19.2836 -20.2234 0.0000 C 0 0 0 0 0 0 0 0 0 22.1535 -20.2301 0.0000 O 0 0 0 0 0 0 0 0 0 20.7073 -21.0578 0.0000 O 0 0 0 0 0 0 0 0 0 18.5573 -19.8116 0.0000 O 0 0 0 0 0 0 0 0 0 18.5709 -11.5416 0.0000 C 0 0 2 0 0 0 0 0 0 18.5706 -12.3707 0.0000 O 0 0 0 0 0 0 0 0 0 19.2905 -11.1209 0.0000 C 0 0 1 0 0 0 0 0 0 19.2859 -12.7865 0.0000 C 0 0 2 0 0 0 0 0 0 20.0127 -11.5395 0.0000 C 0 0 2 0 0 0 0 0 0 19.2908 -10.2953 0.0000 O 0 0 0 0 0 0 0 0 0 19.2891 -13.6122 0.0000 C 0 0 0 0 0 0 0 0 0 20.0090 -12.3727 0.0000 C 0 0 2 0 0 0 0 0 0 20.7289 -11.1298 0.0000 O 0 0 0 0 0 0 0 0 0 18.5736 -14.0260 0.0000 O 0 0 0 0 0 0 0 0 0 20.7318 -12.7844 0.0000 O 0 0 0 0 0 0 0 0 0 18.5657 -14.8516 0.0000 C 0 0 1 0 0 0 0 0 0 19.2810 -15.2668 0.0000 C 0 0 2 0 0 0 0 0 0 17.8426 -15.2654 0.0000 O 0 0 0 0 0 0 0 0 0 20.0006 -14.8564 0.0000 O 0 0 0 0 0 0 0 0 0 19.2807 -16.0924 0.0000 C 0 0 2 0 0 0 0 0 0 17.8423 -16.0911 0.0000 C 0 0 1 0 0 0 0 0 0 20.7124 -15.2612 0.0000 C 0 0 2 0 0 0 0 0 0 18.5611 -16.5172 0.0000 C 0 0 1 0 0 0 0 0 0 20.0035 -16.5117 0.0000 O 0 0 0 0 0 0 0 0 0 17.1226 -16.5083 0.0000 C 0 0 0 0 0 0 0 0 0 20.7122 -16.0869 0.0000 O 0 0 0 0 0 0 0 0 0 21.4355 -14.8509 0.0000 C 0 0 1 0 0 0 0 0 0 18.5643 -17.3429 0.0000 O 0 0 0 0 0 0 0 0 0 16.4074 -16.0966 0.0000 O 0 0 0 0 0 0 0 0 0 21.4385 -16.5061 0.0000 C 0 0 2 0 0 0 0 0 0 22.1473 -15.2592 0.0000 C 0 0 2 0 0 0 0 0 0 21.4323 -14.0218 0.0000 O 0 0 0 0 0 0 0 0 0 21.4307 -17.3352 0.0000 C 0 0 0 0 0 0 0 0 0 22.1429 -16.0923 0.0000 C 0 0 2 0 0 0 0 0 0 22.8704 -14.8529 0.0000 O 0 0 0 0 0 0 0 0 0 22.8624 -16.5075 0.0000 O 0 0 0 0 0 0 0 0 0 16.4341 -11.1336 0.0000 C 0 0 1 0 0 0 0 0 0 15.7308 -10.7080 0.0000 C 0 0 2 0 0 0 0 0 0 16.4265 -11.9592 0.0000 C 0 0 0 0 0 0 0 0 0 17.1512 -10.7294 0.0000 C 0 0 0 0 0 0 0 0 0 15.0137 -11.1191 0.0000 C 0 0 0 0 0 0 0 0 0 15.7418 -9.8893 0.0000 C 0 0 0 0 0 0 0 0 0 15.7128 -12.3592 0.0000 C 0 0 0 0 0 0 0 0 0 17.1657 -9.9073 0.0000 C 0 0 0 0 0 0 0 0 0 15.0026 -11.9446 0.0000 C 0 0 1 0 0 0 0 0 0 14.2993 -10.6970 0.0000 C 0 0 0 0 0 0 0 0 0 16.4555 -9.4859 0.0000 C 0 0 3 0 0 0 0 0 0 14.2890 -12.3481 0.0000 C 0 0 1 0 0 0 0 0 0 14.9916 -12.7668 0.0000 C 0 0 0 0 0 0 0 0 0 13.5822 -11.1045 0.0000 C 0 0 0 0 0 0 0 0 0 16.0409 -8.7825 0.0000 C 0 0 0 0 0 0 0 0 0 16.8666 -8.7825 0.0000 C 0 0 0 0 0 0 0 0 0 13.5711 -11.9336 0.0000 C 0 0 2 0 0 0 0 0 0 14.2890 -13.1737 0.0000 C 0 0 0 0 0 0 0 0 0 14.2745 -11.5156 0.0000 C 0 0 0 0 0 0 0 0 0 12.8499 -12.3412 0.0000 C 0 0 2 0 0 0 0 0 0 13.5642 -13.5924 0.0000 C 0 0 0 0 0 0 0 0 0 12.8464 -13.1668 0.0000 C 0 0 1 0 0 0 0 0 0 12.1362 -11.9267 0.0000 C 0 0 0 0 0 0 0 0 0 12.8395 -11.5156 0.0000 C 0 0 0 0 0 0 0 0 0 12.1362 -13.5847 0.0000 C 0 0 3 0 0 0 0 0 0 11.4115 -12.3412 0.0000 C 0 0 0 0 0 0 0 0 0 11.4115 -13.1668 0.0000 C 0 0 2 0 0 0 0 0 0 11.7149 -14.3026 0.0000 C 0 0 0 0 0 0 0 0 0 12.3421 -14.3889 0.0000 C 0 0 0 0 0 0 0 0 0 10.6944 -13.5847 0.0000 O 0 0 0 0 0 0 0 0 0 9.8612 -13.5847 0.0000 S 0 0 3 0 0 0 0 0 0 9.0435 -13.5813 0.0000 O 0 0 0 0 0 0 0 0 0 9.8578 -12.7592 0.0000 O 0 0 0 0 0 0 0 0 0 9.8578 -14.4179 0.0000 O 0 5 0 0 0 0 0 0 0 15.7274 -11.5302 0.0000 H 0 0 0 0 0 0 0 0 0 13.5677 -12.7592 0.0000 H 0 0 0 0 0 0 0 0 0 12.8430 -13.9924 0.0000 H 0 0 0 0 0 0 0 0 0 17.1459 -11.5458 0.0000 C 0 0 0 0 0 0 0 0 0 17.8584 -11.1333 0.0000 O 0 0 0 0 0 0 0 0 0 17.1458 -12.3708 0.0000 O 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 6 0 0 5 8 1 0 0 0 5 9 1 1 0 0 6 10 1 1 0 0 8 11 1 6 0 0 9 12 1 0 0 0 6 8 1 0 0 0 2 1 1 1 0 0 17 20 1 0 0 0 29 31 1 0 0 0 39 42 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 15 18 1 6 0 0 16 19 1 1 0 0 16 20 1 0 0 0 17 21 1 1 0 0 19 22 1 0 0 0 20 23 1 6 0 0 24 22 1 1 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 6 0 0 25 28 1 0 0 0 26 29 1 0 0 0 30 27 1 1 0 0 28 31 1 0 0 0 28 32 1 1 0 0 29 33 1 1 0 0 30 34 1 0 0 0 30 35 1 0 0 0 31 36 1 6 0 0 33 37 1 0 0 0 34 38 1 0 0 0 35 39 1 0 0 0 35 40 1 6 0 0 38 41 1 1 0 0 38 42 1 0 0 0 39 43 1 1 0 0 42 44 1 6 0 0 45 46 1 0 0 0 45 47 1 0 0 0 45 48 1 0 0 0 46 49 1 0 0 0 46 50 1 0 0 0 47 51 1 0 0 0 48 52 1 0 0 0 49 53 1 0 0 0 49 54 2 0 0 0 50 55 1 0 0 0 53 56 1 0 0 0 53 57 1 6 0 0 54 58 1 0 0 0 55 59 1 0 0 0 55 60 1 0 0 0 56 61 1 0 0 0 56 62 1 0 0 0 56 63 1 1 0 0 61 64 1 0 0 0 62 65 1 0 0 0 64 66 1 0 0 0 64 67 1 0 0 0 64 68 1 1 0 0 66 69 1 0 0 0 67 70 1 0 0 0 69 71 1 0 0 0 69 72 1 0 0 0 69 73 1 0 0 0 71 74 1 1 0 0 74 75 1 0 0 0 75 76 2 0 0 0 75 77 2 0 0 0 75 78 1 0 0 0 51 53 1 0 0 0 52 55 1 0 0 0 58 61 1 0 0 0 65 66 1 0 0 0 70 71 1 0 0 0 46 79 1 1 0 0 61 80 1 6 0 0 66 81 1 6 0 0 45 82 1 1 0 0 82 83 1 0 0 0 13 83 1 1 0 0 82 84 2 0 0 0 41 1 1 0 0 0 M CHG 1 78 -1 M END