HMDB0112637 RDKit 3D PS(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 4.2015 1.6764 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 0.3523 -3.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 0.2192 -4.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 -1.0593 -4.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 -2.2683 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 -3.5207 -4.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5096 -4.4706 -3.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5767 -4.5842 -2.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 -3.5800 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2878 -3.6573 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -4.9522 -2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -4.5909 -3.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4691 -4.9068 -3.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 -5.6516 -2.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 -4.8778 -1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 -4.6175 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -5.0594 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 -3.9292 1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 -2.9483 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -1.8350 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 -1.7135 1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -0.8681 1.7717 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 0.2790 2.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 1.1696 1.7501 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6521 2.3853 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 3.2089 1.8157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 4.5548 2.7651 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0432 4.5377 4.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 5.9945 1.9355 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 4.5258 3.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 3.2557 3.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 3.3194 3.7417 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1087 3.8069 2.5841 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 2.0184 4.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 1.5241 3.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4658 1.3452 5.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 1.5371 0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 1.0701 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 0.3489 -0.6371 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 1.3938 -1.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 0.3735 -2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 0.4386 -3.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 1.6361 -3.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 2.0076 -2.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1524 0.9947 -2.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 1.6100 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1624 0.6327 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0639 1.3169 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1245 0.3956 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2974 0.0350 1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4766 0.4836 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8447 -0.7640 3.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9773 -1.4632 2.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 -2.7000 3.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4433 -2.3649 4.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -3.6604 4.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 1.6441 -4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 2.4811 -3.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 1.9618 -2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 -0.4558 -3.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 0.3530 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 1.1157 -3.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5877 0.2993 -5.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -1.0778 -3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 -1.0525 -4.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6436 -2.1659 -5.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 -2.2288 -3.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 -3.6417 -4.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2299 -5.3500 -3.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0922 -5.6040 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -4.8027 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -2.5935 -1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -2.7916 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -5.6147 -2.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 -5.4199 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -4.0406 -4.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 -4.5687 -4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 -6.0515 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 -6.5629 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 -4.4973 -2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 -4.0091 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -5.6351 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -5.7729 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2378 -3.3880 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -4.3922 2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 -2.5252 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -3.4258 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 0.0148 3.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5556 0.8841 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 0.5688 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 2.1116 3.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 2.9470 2.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 5.9982 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 2.8975 4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 2.5903 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 4.0263 4.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6150 3.0602 2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 4.4227 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 1.3918 5.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 1.3559 -2.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 2.4271 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1621 0.3185 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -0.6269 -2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 0.2614 -4.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -0.4534 -3.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 2.5438 -4.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6357 1.4245 -4.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 2.8985 -3.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 2.4029 -1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 0.7554 -3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7636 0.0582 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 1.7737 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 2.5430 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6849 -0.2186 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7188 0.2651 -1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 1.7054 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5761 2.1290 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8339 -0.0325 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1398 -0.6663 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 1.2370 2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1299 0.9436 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6879 -1.4296 3.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3115 -0.4927 4.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2089 -0.7574 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5803 -1.7552 1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -3.4414 3.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 -3.1565 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -1.9611 5.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 -1.6598 3.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 -3.5005 5.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 -4.1190 3.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 -4.3722 4.8611 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 2 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 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 6 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 1 33 97 1 0 33 98 1 0 36 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 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END