HMDB0285879 RDKit 3D PC(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/15:0) 134134 0 0 0 0 0 0 0 0999 V2000 -8.0791 -1.8070 3.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6429 -0.6642 4.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -0.0354 4.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 0.0731 4.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9829 -0.4575 5.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9738 -1.4844 6.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5783 -1.1756 5.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 -2.4209 5.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 -2.7930 4.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -1.8177 3.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4386 -1.3920 2.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 -1.8371 1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 -0.6675 1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8183 -0.3979 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -1.2631 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7576 -1.7634 -1.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0661 -1.5275 -3.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2633 -0.7406 -4.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0548 -1.6832 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 -2.0439 -5.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6028 -1.7064 -5.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 -0.6850 -4.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 0.7296 -5.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 0.9459 -6.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 1.8069 -4.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1482 3.1693 -4.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 3.9385 -3.8155 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2579 3.6090 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 4.3110 -3.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6688 4.1286 -3.4291 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1471 4.7591 -4.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 2.5222 -3.4688 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4148 4.9978 -2.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 4.2959 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 5.1806 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 5.5446 0.5053 N 0 0 0 0 0 4 0 0 0 0 0 0 3.2500 4.3785 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 6.0134 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 6.5901 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 3.4950 -2.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 4.2082 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 5.4433 -1.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 3.5219 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 2.0473 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 1.7993 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1562 0.2843 -0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 0.0156 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 -1.4731 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 -1.8433 -1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2692 -1.4590 -1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -2.0370 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2954 -3.5286 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3135 -4.0455 1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 -5.5616 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3556 -6.0489 3.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -7.5609 3.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9571 -2.2914 4.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2129 -2.4874 3.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3680 -1.4473 2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4782 0.0865 4.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5796 -1.1019 5.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6161 0.4068 3.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 0.5920 4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6272 0.4605 6.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 -0.7016 6.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 -1.6432 7.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -3.2418 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 -3.7438 4.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 -3.1613 3.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.4314 3.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.6586 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -2.3269 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2326 -2.6328 1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 0.0720 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 0.4944 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9723 -2.1733 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -0.7754 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 -2.3398 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0168 -1.9079 -3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 -0.2446 -3.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0214 0.0359 -4.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0165 -2.1605 -5.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0987 -2.8295 -6.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 -2.6692 -5.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1404 -1.4713 -6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 -0.9359 -3.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 -0.6869 -4.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1707 3.4603 -4.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 3.4749 -5.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 5.0274 -3.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 4.0344 -5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 2.5325 -4.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 4.0842 -2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1255 3.3580 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 6.1320 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8579 4.6780 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 3.5181 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 4.5903 1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 4.1068 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 5.3124 1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0701 7.0622 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 6.0472 2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 7.2333 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 7.3239 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 6.2064 -0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1618 4.0212 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8256 3.5866 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5358 1.5842 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 1.5742 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 2.2280 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 2.1553 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 -0.2498 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.0818 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 0.4794 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6308 0.4780 -2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -1.9526 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 -1.8451 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -1.2757 -2.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -2.9049 -2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 -0.3513 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2051 -1.7412 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 -1.6507 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -1.6812 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 -4.0147 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2081 -3.9372 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -3.6664 2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 -3.7274 2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -5.8714 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 -5.9712 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 -5.6674 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -5.6202 3.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 -7.8973 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 -7.8923 3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 -7.9011 4.1490 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 1 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 8 6 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 1 28 91 1 0 28 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 37 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 39105 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 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 32 -1 36 1 M END