HMDB0008230 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) 120119 0 0 0 0 0 0 0 0999 V2000 -1.8932 1.6447 -3.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 2.4481 -2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 3.8007 -3.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 4.3174 -3.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 3.6071 -3.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 3.4947 -5.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3206 2.3921 -5.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 1.0560 -4.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 0.3874 -5.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -0.6884 -5.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -1.5269 -6.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 -1.1742 -6.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4498 -1.8910 -6.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -3.2010 -5.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2324 -3.2226 -4.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -2.3232 -3.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -2.2991 -2.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -1.4578 -1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 -2.0538 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -0.1737 -0.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 0.6657 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 0.4396 1.4786 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9260 -0.6572 2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -0.4635 3.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 -1.6354 4.1351 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2903 -2.4819 5.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 -0.8541 5.0443 O 0 0 0 0 0 1 0 0 0 0 0 0 3.8200 -2.5718 2.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 -3.7448 3.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -4.6211 2.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 -4.0746 1.8354 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7177 -3.6408 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 -2.9330 2.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2264 -5.0365 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 0.4488 2.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 1.3948 2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 2.3176 3.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 1.4344 3.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 2.6016 4.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 2.7109 5.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6095 2.9027 4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8732 2.9953 5.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1097 3.2043 4.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5078 2.1673 3.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7291 0.8381 3.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0775 -0.2244 3.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0652 -0.2010 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4013 -1.1045 1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2249 -0.9362 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0773 0.4976 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 0.8323 -2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 2.3418 -3.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 1.1955 -4.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 2.5427 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 1.8961 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 4.4397 -3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 5.3458 -4.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 4.3400 -3.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 2.7438 -2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 4.4463 -5.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 2.4262 -6.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0198 1.2358 -3.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.5310 -5.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 0.8999 -4.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -1.0239 -5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 -1.5604 -7.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 -2.5929 -6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 -0.2202 -7.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.4697 -6.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 -3.9152 -6.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -3.6627 -5.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 -4.2596 -4.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 -2.8743 -4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -1.2845 -3.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 -2.5839 -3.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -3.3336 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -1.9572 -2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 1.7261 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 0.7676 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 1.3916 1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 -1.6045 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -0.8413 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0479 -3.4697 4.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5386 -4.3435 3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -5.5094 3.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 -5.0766 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6286 -3.4190 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 -2.7409 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1677 -4.4390 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 -2.5880 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 -3.1886 3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 -2.0710 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5496 -5.5476 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -4.4244 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9848 -5.7173 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 1.4398 2.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 0.4989 4.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3294 2.5134 5.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 3.5021 3.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 1.7690 5.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 3.5387 5.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 3.8337 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 2.0752 3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 2.0953 5.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6884 3.8385 5.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0083 4.1947 3.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9452 3.4299 5.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8941 2.2429 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5449 2.5031 2.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5035 0.7623 4.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 -1.2135 4.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1321 -0.6696 2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7515 0.7397 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 -2.1746 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 -0.8749 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 -1.2293 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -1.5759 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3215 1.0185 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 0.5794 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 1.0146 -0.1079 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 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 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 2 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 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 1 23 81 1 0 23 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 32 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 34 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 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 CHG 2 27 -1 31 1 M END