HMDB0056074 RDKit 3D DG(20:0/0:0/18:3n6) 120119 0 0 0 0 0 0 0 0999 V2000 15.2844 -3.0363 -1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3552 -1.8121 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2219 -0.6228 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7394 0.7137 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6136 1.3553 -1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3475 0.6860 -1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2841 1.2744 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 2.6216 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 2.9450 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 2.2338 2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8266 0.7708 2.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5725 0.2334 3.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7626 -0.6477 2.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0207 -1.2553 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0801 -1.0355 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 -1.5259 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7913 -1.0462 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 -1.6519 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 -2.3582 -0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -1.4007 1.7057 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 -1.8792 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 -1.1656 0.3984 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0543 -1.1870 -0.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9908 0.2308 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1041 0.9153 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0981 1.3355 -1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0861 1.1099 -2.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0223 2.0808 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 2.2738 -1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 1.0028 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 0.1377 -1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 0.8380 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5796 1.2731 -1.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3229 0.0977 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5651 0.6053 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 1.3576 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7137 1.8705 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7964 1.0009 -0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6306 -0.0263 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0474 -0.6264 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6618 -1.2391 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9463 -1.9396 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1762 -1.2725 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2856 -0.6591 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7394 -0.1050 1.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6710 -1.2683 1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7532 -2.8504 -2.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5887 -3.8877 -1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9562 -3.1027 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6530 -1.8893 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8842 -2.0590 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6702 -0.5837 -1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1091 -0.8305 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6294 1.4362 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4503 0.7483 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6598 2.4360 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9136 1.3640 -2.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1905 -0.3643 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3247 0.6743 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1102 3.2159 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3791 3.1931 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 4.0748 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6325 2.7339 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 0.5660 3.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1447 0.2084 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 0.6310 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 -0.9513 3.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 -1.1916 0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9697 -2.4126 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5254 -1.4366 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0394 0.1040 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -2.6715 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -1.2500 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 0.0357 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -1.4883 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -1.8522 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1751 -2.9751 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -1.7525 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.4504 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 0.1545 1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 0.8287 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 1.5513 -2.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 3.1110 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 2.8537 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8998 2.8396 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 0.4180 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 1.2756 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7731 -0.7646 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4618 -0.1395 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 0.1005 -3.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 1.6780 -3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1709 1.7808 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4075 2.0257 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -0.5561 -2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6907 -0.5127 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0218 -0.1702 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1108 1.3603 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6303 0.6964 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8715 2.2269 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1676 2.5465 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4511 2.6375 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6550 1.6675 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2016 0.5149 -1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2507 0.3038 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0112 -0.9042 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6129 0.2423 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9528 -1.3589 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8974 -1.9059 -0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8318 -0.4169 -1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1390 -2.5508 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7808 -2.8009 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3940 -0.4677 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0463 -1.9960 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1022 -1.3760 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6589 0.2270 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8093 0.3242 2.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8356 0.6244 0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6020 -1.0993 2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2013 -2.2164 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9896 -1.3782 0.4069 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 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 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 22 78 1 6 23 79 1 0 24 80 1 0 24 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 M END