HMDB0007498 RDKit 3D DG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 -16.8847 -0.4776 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3544 -0.6296 0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0467 -1.6458 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3363 -1.4430 -1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6516 -0.2778 -1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7297 1.0039 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7500 1.6874 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3600 1.1956 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4878 2.1059 -1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4948 2.7610 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9658 2.8063 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5757 2.1191 1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9734 1.1510 2.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6218 0.5909 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6966 -0.8452 1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2984 -1.4583 0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6559 -0.6721 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3441 -1.2472 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2269 -0.5925 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 0.8080 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 1.6032 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0371 1.0525 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 1.3659 -2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 0.2288 -0.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -0.3291 -0.3142 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4418 0.1775 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 1.5829 0.9258 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -1.8072 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 -2.6330 -0.3153 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 -2.7546 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -1.9723 -2.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 -3.7405 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 -3.3823 -1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 -2.2153 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2115 -0.8867 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 0.1024 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4545 0.2053 -1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2971 1.1951 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4447 0.9037 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 -0.4607 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 -0.3092 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4889 -0.6439 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 -1.2181 1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4305 -0.5529 2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9935 0.6018 2.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 1.5961 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5409 1.8497 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1406 0.5410 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6162 0.7183 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3949 1.2040 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1721 0.3552 1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2999 -1.4241 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2025 -0.3467 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9095 0.3337 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1641 -1.0843 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4581 -2.6725 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2075 -2.3675 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0658 -0.2061 -2.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5983 -0.6070 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7207 1.5113 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9359 2.6771 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0930 0.9309 0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2569 0.1988 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7095 2.2474 -2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 3.4229 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8352 2.6623 0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9697 3.9576 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5861 2.4627 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5398 0.7170 3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0535 0.6551 3.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0579 1.2212 1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1604 -1.4777 2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4193 -2.5434 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7799 0.3659 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2676 -0.9871 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 -2.3228 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2496 -1.1100 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0664 1.3061 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 0.8878 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 1.4550 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 2.6787 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 0.0673 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -0.2080 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 -0.0552 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1998 1.8472 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -2.0137 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 -2.0571 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 -3.9485 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -4.7499 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 -3.2218 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -4.2972 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -2.4652 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 -2.1176 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 -0.8072 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -0.4456 -2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 -0.1574 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 1.1152 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9414 -0.7173 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1637 0.6719 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 2.2002 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0341 1.6806 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4024 -1.2260 -0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1434 -0.7757 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 0.1226 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3803 -0.5065 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6967 -1.5499 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1733 -2.2761 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5047 -1.1830 3.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5194 0.8908 3.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5341 1.4411 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7146 2.5879 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0714 2.2995 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5084 2.5245 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6289 0.2416 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0222 -0.2637 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0051 -0.2846 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7520 1.3566 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4028 0.7418 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8638 0.8635 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5487 2.3027 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 6 26 83 1 0 26 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END