HMDB0253803 RDKit 3D Kirenol 58 60 0 0 0 0 0 0 0 0999 V2000 3.8354 1.4622 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 0.6353 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 0.3260 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 -0.4238 1.7943 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 -0.4409 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2758 -0.6708 1.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 1.4547 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 1.0277 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 2.0191 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 1.1973 1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 0.3808 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 0.0155 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -0.3432 1.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 1.3137 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8328 1.7594 -1.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 -1.0056 -0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8543 -1.3811 -1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1628 -0.6290 -2.7615 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -1.2912 -1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -0.7626 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -1.9286 0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4505 -0.3708 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 -0.6531 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -0.6439 -0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 2.2440 -1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 2.0642 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 0.8657 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 1.2874 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 -0.0962 2.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 0.1875 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 -1.4061 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0846 -1.4958 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 2.4999 0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 2.6794 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 2.5690 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 0.5866 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.9184 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 1.0491 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 -0.2188 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -1.3833 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2598 0.3959 2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 2.0554 0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 1.0042 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 2.7416 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 -0.6536 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1611 -1.8969 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 -2.4351 -1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -1.0778 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -2.2939 -1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -0.6163 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 -2.5903 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 -2.5514 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 -1.6106 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 -0.9769 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 -1.6710 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 0.1259 -2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 -1.4985 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 -0.8492 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 2 1 0 22 8 1 0 20 11 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 M END