HMDB0007361 RDKit 3D DG(20:0/18:0/0:0) 126125 0 0 0 0 0 0 0 0999 V2000 -13.7606 -0.1452 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5095 -0.7207 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1158 -2.1795 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5916 -2.1745 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0942 -3.5706 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6673 -3.7872 0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6256 -3.4547 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4336 -2.0611 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -1.1373 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9905 0.2884 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7641 1.1895 1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5885 2.5915 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4211 2.8254 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0803 2.5571 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0232 2.8703 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1268 2.0041 -1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0192 0.5562 -1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8461 -0.2337 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 -0.1176 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 1.1193 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 1.6094 1.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 1.7979 -0.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 2.9803 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 2.9602 -0.3448 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7054 4.4071 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9434 4.5003 0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 2.0757 -0.9407 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 1.2755 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 1.3979 1.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 0.3439 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 -0.0371 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 1.2339 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.1642 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 0.2867 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 0.8499 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 0.2891 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9111 0.3340 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 -0.3287 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0437 -1.7976 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8163 -2.6310 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3223 -2.3936 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1073 -3.2529 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5773 -3.1495 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2679 -1.9213 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9825 -0.6169 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9404 0.4681 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7896 0.2522 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3918 0.6890 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6662 -0.9384 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5883 -0.5862 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1825 -0.1252 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2719 -2.7086 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6444 -2.6557 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4826 -1.6069 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0976 -1.5725 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4800 -4.2252 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6695 -3.9957 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4561 -3.2448 1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4750 -4.8693 1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7211 -4.1464 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6415 -3.8451 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1459 -1.6375 -1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4318 -2.0920 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0301 -1.1724 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2058 -1.4475 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1822 0.3762 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9438 0.5495 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 0.8255 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6945 1.1564 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5058 2.8625 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5999 3.3262 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4466 3.9113 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4866 2.2466 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8771 3.2887 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 1.5573 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 3.0517 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3601 3.9246 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0022 2.3195 -2.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 2.3456 -2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3829 0.1439 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8503 0.1766 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 -0.1734 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1824 -1.3427 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.3690 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 -0.9502 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 3.7950 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0923 3.2966 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 2.8347 0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 5.0657 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 4.6493 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 4.7965 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 0.8263 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 -0.5705 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 -0.4437 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5266 -0.7900 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 1.9386 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 1.7469 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 2.1990 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 0.9475 2.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 0.2608 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4459 -0.7277 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5222 1.9695 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5465 0.8190 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6721 0.8663 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 -0.7480 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 1.4380 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6740 -0.0187 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7719 0.1621 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 -0.1513 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9592 -2.0954 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4188 -2.1002 2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6288 -2.3684 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6426 -3.6950 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5873 -2.7935 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5443 -1.3482 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7590 -4.3219 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7895 -2.9412 -1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9844 -3.4720 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9737 -4.0000 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1550 -1.7876 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3939 -2.0670 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0106 -0.6208 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9570 -0.2273 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4879 1.4430 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9608 0.3344 -1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9518 0.3355 -0.3958 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 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 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 1 25 89 1 0 25 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 46126 1 0 M END