HMDB0000534 RDKit 3D Campestanol 79 82 0 0 0 0 0 0 0 0999 V2000 6.9583 -1.9456 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8246 -0.4520 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1539 -0.0040 -1.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 0.0077 -0.1431 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3490 1.4942 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 -0.5368 1.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 -0.1445 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -0.5987 0.7198 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5597 -2.0626 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 0.0747 1.1436 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4681 1.5796 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 2.1297 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 0.9704 0.9326 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1450 1.0211 0.3745 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9593 1.9840 1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 2.1319 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0139 0.8304 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1969 1.0385 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9125 -0.1850 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0935 -0.2983 -0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1663 -1.4525 -0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -1.5088 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 -0.2208 -0.2762 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8266 0.1302 -1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 -0.3017 0.4871 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0150 -1.4780 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 -1.4268 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0695 -0.1914 0.4005 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1573 -0.0368 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 -2.4053 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0855 -2.3193 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8852 -2.2288 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4991 0.0418 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7947 -0.7305 -2.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6932 0.9685 -1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2203 0.1675 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7291 -0.4401 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 1.8965 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 1.8085 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 1.9841 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -0.0115 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 -1.5991 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 -0.5379 2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 0.9712 1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -0.1871 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 -2.5048 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 -2.4245 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -2.4908 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -0.1418 2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8412 2.0227 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 1.7661 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 2.5471 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 2.9695 1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 0.8401 2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 1.4041 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 1.5423 2.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 2.9868 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 2.7593 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1236 2.6142 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 0.4154 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8917 1.7400 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 1.6450 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3047 -0.0046 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9143 -0.1512 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8377 -2.2782 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9205 -1.7855 -1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 -1.6698 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3027 -2.3759 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 -0.1421 -2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5267 -0.3565 -2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 1.2346 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -0.4170 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 -2.3930 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 -1.6617 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 -1.2867 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -2.3708 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 0.3110 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 0.7210 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -0.9910 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 6 28 10 1 0 28 13 1 0 25 14 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 6 5 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 6 9 46 1 0 9 47 1 0 9 48 1 0 10 49 1 1 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 1 14 55 1 6 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 24 69 1 0 24 70 1 0 24 71 1 0 25 72 1 1 26 73 1 0 26 74 1 0 27 75 1 0 27 76 1 0 29 77 1 0 29 78 1 0 29 79 1 0 M END