HMDB0263057 RDKit 3D PA(20:3(5Z,8Z,14Z)-O(11S,12R)/14:1(9Z)) 110110 0 0 0 0 0 0 0 0999 V2000 -12.5415 -2.0219 2.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0515 -3.3736 2.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8502 -4.3533 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7981 -4.0408 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0194 -2.7581 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1639 -1.7751 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8363 -1.8128 0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7214 -0.7229 1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4501 -0.5832 2.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 -0.2506 1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0576 1.0286 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7865 1.1481 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1556 0.1954 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7258 0.6485 -1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 -0.2182 -2.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3156 1.9114 -1.4735 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0275 2.4219 -1.6823 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3544 2.8025 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 3.3936 -0.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 2.8687 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 1.7159 -1.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 3.7287 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 3.4625 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 2.0582 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4248 1.7748 -1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 1.4915 -1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 1.3798 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3566 1.6103 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 0.7055 1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 -0.6639 1.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2546 -0.8583 2.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3481 -0.0675 2.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4308 -1.5698 2.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 -1.9203 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2474 -0.7651 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 -0.4431 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6437 -1.1962 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2871 -1.7479 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5518 -2.4959 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3579 -3.6810 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7098 -4.3823 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 3.4604 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 4.6043 -2.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4174 5.6992 -3.8435 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2266 5.1613 -4.6408 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7255 5.7176 -4.9069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 7.2275 -3.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1964 -1.5728 3.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7444 -1.2862 2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1653 -2.0454 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7891 -3.7931 3.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0667 -3.3231 3.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6086 -5.3590 1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8569 -4.5030 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9254 -4.8319 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7715 -4.2040 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0034 -2.6509 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4942 -0.8609 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5727 -2.7610 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0596 -1.6643 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4874 -1.0461 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2006 0.1978 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3312 -1.5172 2.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6025 0.2148 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8009 -1.1088 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -0.2082 2.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3295 1.8679 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 1.1808 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5966 2.1699 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8491 1.0021 -0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 0.3221 -2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1438 -0.8442 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 1.5264 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 1.9405 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0121 3.5431 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 4.8027 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 3.7180 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 3.5307 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9118 4.2234 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 1.4353 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 1.6426 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 1.7961 -2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0945 1.2900 -2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6205 1.9700 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 0.3258 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.6273 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 1.0199 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2398 -1.0635 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 -1.3279 2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 -0.8901 3.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0541 -1.9864 3.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2139 -2.5534 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8476 -2.5659 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 -0.0846 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5249 0.4426 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3909 -0.3966 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5861 -1.9900 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 -0.9156 -2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -2.4760 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9884 -2.7954 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2445 -1.7806 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8944 -3.4394 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 -4.4622 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3869 -3.7197 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1647 -4.6503 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5383 -5.3331 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 3.7667 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 2.9844 -3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 6.0619 -4.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 7.3576 -2.3332 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 17 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 33 31 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 17 73 1 6 18 74 1 0 18 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 46109 1 0 47110 1 0 M END