HMDB0264512 RDKit 3D PA(19:2(10Z,13Z)/20:3(5Z,11Z,14Z)-O(8,9)) 123123 0 0 0 0 0 0 0 0999 V2000 -14.5310 -1.6797 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8808 -0.7536 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4681 -0.3410 2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0993 0.4047 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2672 -0.3344 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4603 -1.5527 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5211 -1.8641 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9822 -1.1489 -2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4949 0.1064 -2.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7946 1.2351 -2.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4309 1.3397 -2.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4279 2.3520 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0735 2.5073 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5970 1.2388 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 1.2906 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 1.6415 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 0.7651 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5329 -0.6860 -0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -0.9287 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 -0.3896 1.1088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 -1.7172 -0.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 -1.9497 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -0.6759 0.9129 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8116 0.1157 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2414 1.3564 0.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7166 2.4054 -1.0766 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0700 1.6311 -2.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 3.4806 -1.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0883 3.3079 -0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -0.8983 1.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 -0.3347 3.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 0.4477 3.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5483 -0.5399 4.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7236 -1.3029 3.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 -0.7141 2.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 -0.2512 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -0.7237 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -1.8274 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 -1.3947 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4995 -2.5619 -1.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0196 -1.4207 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5595 -1.3494 0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 -0.0429 1.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9505 0.8834 1.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4208 0.7790 1.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9773 1.8852 1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7110 1.6817 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 0.3620 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5829 0.2271 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0177 -1.1212 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5816 -1.3637 -2.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1652 -0.3275 -3.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2931 -2.2730 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2375 -1.1733 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9044 -2.3844 0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5153 0.2063 2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0277 -1.0622 3.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7666 -1.2392 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1698 0.2940 2.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8003 1.3036 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0991 0.8992 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1142 0.3843 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3338 -0.6018 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6392 -2.3445 0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0547 -2.8898 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8401 -1.2064 -2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1834 -1.8786 -3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5022 0.1464 -3.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2613 2.1684 -3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 1.8311 -3.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9953 0.4195 -2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6889 3.3407 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2268 2.1495 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3357 2.9427 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2155 3.2813 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3593 0.9966 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6308 0.3489 -0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 1.9744 1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 0.2838 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 1.7342 0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 2.7032 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 1.1241 -1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4685 0.8471 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 -1.2907 -1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -1.1603 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 -2.6684 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 -2.3991 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.0258 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 0.2068 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -0.3970 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 3.5795 -0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 3.9547 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 0.4799 4.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 -0.9502 5.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -2.3351 3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 -1.5739 4.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 -1.3996 2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 0.1797 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 0.6195 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 -0.2435 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -2.3346 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 -2.6547 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 -1.0063 -1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7038 -0.8446 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1730 -2.1811 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6469 -1.4950 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0716 0.1519 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5222 1.8083 2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 -0.2046 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7204 1.0153 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7473 2.9060 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0887 2.5716 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 -0.5013 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8035 0.3713 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9688 1.0029 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9987 0.3993 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1101 -1.1508 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5919 -1.9466 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9614 -2.3537 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 -1.3655 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8379 -0.6340 -4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2729 -0.3794 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7461 0.6746 -3.1232 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 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 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 41 39 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 28 91 1 0 29 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 52123 1 0 M END