Marvin 02181311152D 158171 0 0 0 0 999 V2000 8.0250 -13.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5958 -14.5833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6125 -13.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -14.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3250 -13.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -17.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8958 -16.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -14.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -12.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4625 -14.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3875 -16.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1792 -17.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0292 -18.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6125 -15.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7125 -14.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2882 -20.8773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9667 -20.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6667 -16.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7292 -18.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1750 -18.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4167 -15.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0080 -21.2731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1750 -14.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1792 -15.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6333 -17.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3958 -16.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6958 -19.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9125 -11.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1750 -22.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2375 -12.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4583 -15.8083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5417 -18.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0134 -22.1012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5250 -12.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2042 -21.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6208 -12.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0167 -14.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8917 -17.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -17.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -14.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -16.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -17.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -16.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -12.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -18.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9875 -15.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5789 -21.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -21.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -14.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9375 -17.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2542 -18.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3375 -12.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6458 -17.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 -14.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3000 -15.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -13.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -10.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3054 -22.5230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9042 -13.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -12.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4417 -22.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3458 -17.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -17.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9625 -16.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3417 -12.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1917 -12.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -12.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0625 -12.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 -19.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9667 -15.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3250 -16.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -15.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5885 -22.1144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3417 -11.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5083 -20.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 -11.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -12.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -15.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -13.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -14.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7333 -13.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2750 -20.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 -16.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3708 -18.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -12.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -22.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9458 -11.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6167 -13.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7833 -14.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -13.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -21.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -10.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -14.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0292 -13.5083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5458 -19.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0500 -17.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1708 -13.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0958 -18.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -12.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 -13.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5250 -18.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -18.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -18.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7159 -20.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -13.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -22.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -20.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -16.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -10.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0958 -16.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -18.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7324 -22.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -19.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -15.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8000 -18.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -13.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -18.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2083 -17.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -14.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3130 -23.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -10.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -15.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -12.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 -23.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -14.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -14.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -10.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -22.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -17.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -16.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -16.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1208 -19.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -11.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -11.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -16.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -16.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 -16.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -20.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8770 -22.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -10.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -11.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6667 -18.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8458 -20.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0500 -12.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7375 -13.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -20.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -18.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -16.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 -15.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -12.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -16.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -16.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6083 -12.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 -19.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 14 1 0 0 0 0 1 8 1 1 0 0 0 9 36 1 0 0 0 0 10 23 1 0 0 0 0 11 43 1 1 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 14 72 1 0 0 0 0 15 82 1 1 0 0 0 16 83 1 1 0 0 0 17 27 1 0 0 0 0 18 26 1 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 4 1 0 0 0 0 24 7 1 0 0 0 0 25 6 1 0 0 0 0 26 21 1 0 0 0 0 27 19 1 0 0 0 0 28 9 1 0 0 0 0 29 35 1 0 0 0 0 30 34 1 0 0 0 0 31 10 1 0 0 0 0 32 20 1 0 0 0 0 33 22 1 0 0 0 0 34 44 1 0 0 0 0 35 49 1 0 0 0 0 36 89 1 1 0 0 0 37 1 1 0 0 0 0 7 38 1 6 0 0 0 6 39 1 6 0 0 0 40 14 1 0 0 0 0 41 11 1 0 0 0 0 42 12 1 0 0 0 0 43 8 1 0 0 0 0 9 44 1 6 0 0 0 45 13 1 0 0 0 0 46 15 1 0 0 0 0 47 16 1 0 0 0 0 48 31 1 0 0 0 0 17 49 1 6 0 0 0 50 24 1 0 0 0 0 51 65 1 0 0 0 0 52 32 1 0 0 0 0 53 36 1 0 0 0 0 18 54 1 6 0 0 0 55 40 1 0 0 0 0 56 37 1 0 0 0 0 57 1 1 0 0 0 0 58 28 1 0 0 0 0 59 33 1 0 0 0 0 60 3 2 0 0 0 0 61 30 1 0 0 0 0 62 29 1 0 0 0 0 63 54 1 0 0 0 0 64 42 1 0 0 0 0 65 41 1 0 0 0 0 66 5 1 0 0 0 0 67 78 1 0 0 0 0 68 57 1 0 0 0 0 69 68 1 0 0 0 0 70 45 1 0 0 0 0 71 46 1 0 0 0 0 73 72 1 1 0 0 0 73 48 1 0 0 0 0 74 47 1 0 0 0 0 75 53 1 0 0 0 0 76 35 1 0 0 0 0 77 34 1 0 0 0 0 68 78 1 1 0 0 0 79 4 1 0 0 0 0 80 60 1 0 0 0 0 81 10 1 0 0 0 0 82 95 1 0 0 0 0 83 96 1 0 0 0 0 84 79 1 0 0 0 0 85 63 1 0 0 0 0 86 67 1 0 0 0 0 87 62 1 0 0 0 0 88 61 1 0 0 0 0 89 91 1 0 0 0 0 90 8 2 0 0 0 0 55 91 1 1 0 0 0 92 76 1 0 0 0 0 93 77 1 0 0 0 0 94 81 1 0 0 0 0 95148 1 0 0 0 0 96147 1 0 0 0 0 97 63 2 0 0 0 0 98 67 2 0 0 0 0 99 85 2 0 0 0 0 100 86 2 0 0 0 0 101 95 1 0 0 0 0 102 96 1 0 0 0 0 19103 1 1 0 0 0 20104 1 6 0 0 0 21105 1 6 0 0 0 22106 1 6 0 0 0 30107 1 6 0 0 0 29108 1 6 0 0 0 27109 1 1 0 0 0 24110 1 1 0 0 0 28111 1 1 0 0 0 26112 1 1 0 0 0 25113 1 1 0 0 0 33114 1 1 0 0 0 32115 1 1 0 0 0 2116 1 6 0 0 0 117102 2 0 0 0 0 118101 2 0 0 0 0 52119 1 6 0 0 0 51120 1 6 0 0 0 50121 1 6 0 0 0 59122 1 6 0 0 0 58123 1 1 0 0 0 37124 1 6 0 0 0 61125 1 1 0 0 0 62126 1 1 0 0 0 4127 1 1 0 0 0 10128 1 1 0 0 0 88129 1 1 0 0 0 87130 1 6 0 0 0 64131 1 1 0 0 0 65132 1 1 0 0 0 133 48 1 0 0 0 0 134 48 1 0 0 0 0 135 99 1 0 0 0 0 136100 1 0 0 0 0 137 69 1 0 0 0 0 138 69 1 0 0 0 0 139132 1 0 0 0 0 140131 1 0 0 0 0 71141 1 1 0 0 0 70142 1 1 0 0 0 74143 1 1 0 0 0 75144 1 1 0 0 0 145 86 1 0 0 0 0 146 85 1 0 0 0 0 147135 1 0 0 0 0 148136 1 0 0 0 0 95149 1 1 0 0 0 35150 1 6 0 0 0 13151 1 1 0 0 0 31152 1 6 0 0 0 23153 1 6 0 0 0 34154 1 6 0 0 0 14155 1 6 0 0 0 12156 1 6 0 0 0 5157 1 1 0 0 0 56 2 1 0 0 0 0 66 69 1 0 0 0 0 80 23 1 0 0 0 0 25 51 1 0 0 0 0 84 31 1 0 0 0 0 17 70 1 0 0 0 0 73 94 1 0 0 0 0 18 71 1 0 0 0 0 87 92 1 0 0 0 0 50 55 1 0 0 0 0 52 64 1 0 0 0 0 58 75 1 0 0 0 0 88 93 1 0 0 0 0 59 74 1 0 0 0 0 96158 1 1 0 0 0 M END > CHEBI:65987 > gummiferaoside B > A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line. > 3 > beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-3-{[alpha-L-arabinopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C102H162O48 > 2156.34890 > 2155.02356 > 0 > [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](C)O[C@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23C[C@H](OC(=O)C(\C)=C\CC[C@](C)(O[C@@H]4O[C@H](C)[C@@H](OC(=O)C(\C)=C\CC[C@@](C)(O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@H](O)[C@H]4O)C=C)C(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@H]1O > InChI=1S/C102H162O48/c1-18-97(13,149-89-75(125)65(115)58(108)42(5)134-89)29-21-23-41(4)84(129)143-78-44(7)137-90(77(127)71(78)121)150-98(14,19-2)28-20-22-40(3)83(128)141-57-34-102(94(130)148-93-82(68(118)63(113)51(36-104)139-93)146-87-76(126)70(120)79(45(8)136-87)144-85-72(122)60(110)48(105)37-131-85)47(32-95(57,9)10)46-24-25-54-99(15)30-27-56(96(11,12)53(99)26-31-100(54,16)101(46,17)33-55(102)107)142-92-81(147-88-74(124)66(116)62(112)50(35-103)138-88)69(119)64(114)52(140-92)39-133-91-80(67(117)59(109)43(6)135-91)145-86-73(123)61(111)49(106)38-132-86/h18-19,22-24,42-45,47-82,85-93,103-127H,1-2,20-21,25-39H2,3-17H3/b40-22+,41-23+/t42-,43-,44-,45-,47+,48-,49+,50-,51-,52-,53+,54-,55-,56+,57+,58-,59+,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85+,86+,87-,88+,89+,90+,91-,92+,93+,97+,98-,99+,100-,101-,102-/m1/s1 > WWTIDCRMMJEMDR-WLGZQPPQSA-N > 11058834 > 17263578 $$$$