HMDB0115155 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) 115114 0 0 0 0 0 0 0 0999 V2000 15.9143 -2.4494 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8077 -1.4093 0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 -2.1109 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4662 -2.2171 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0806 -1.5796 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9993 -0.6034 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8074 -0.6566 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3537 -1.6360 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2849 -2.5628 -1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 -2.7259 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 -2.0332 1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2366 -1.4660 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 -0.2228 1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 0.9155 1.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 2.0311 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6064 1.7585 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 0.8136 -1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2103 1.3307 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 2.4558 -0.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 0.6275 -1.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 1.2399 -0.9999 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7945 0.3489 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 1.1425 -0.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 2.1606 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7647 2.3797 1.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 3.0360 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6993 2.9258 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 1.5909 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 1.3108 1.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9108 1.1685 2.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1006 1.2841 1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9515 2.4102 1.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1711 2.2439 2.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9187 0.9713 2.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0859 1.1925 1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3195 0.5183 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4919 -0.5498 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0116 -1.8804 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1572 -2.3599 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3099 -1.7304 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5535 -1.7366 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9793 -3.1255 -0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2000 -3.0229 -1.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2820 -2.3321 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 1.5519 -2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 2.3838 -3.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 2.7492 -4.6337 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1997 2.5447 -4.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 4.3832 -4.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 1.8027 -5.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4411 -3.2330 0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7540 -1.9495 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1936 -2.8592 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2310 -0.6457 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6746 -0.8735 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9459 -2.6090 2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7330 -2.7639 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7940 -2.3478 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9488 -1.0672 -0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 0.2062 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1240 0.1703 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9537 -1.0203 -2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2326 -2.1345 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -3.2451 -1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 -3.5489 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6957 -2.8481 2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.2672 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4089 -2.2077 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 0.0109 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6768 1.3497 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 0.6647 1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 2.6421 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 2.7790 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3541 2.7726 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5705 1.5079 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 0.8855 -2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 -0.2403 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 2.2063 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -0.5173 -0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 0.0555 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 4.1188 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6997 2.8531 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 3.0417 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 3.7468 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 1.4453 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 0.8154 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 1.2127 2.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0882 0.9515 3.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8765 1.5461 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6086 0.3117 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4935 3.4261 2.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7145 3.1358 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3530 0.0869 2.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3292 0.8625 3.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7835 1.9932 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2363 0.8520 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 -0.5873 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1591 -0.2191 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3114 -2.6278 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3308 -3.4645 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6142 -2.3620 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1518 -0.7570 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3681 -1.2451 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3299 -1.1153 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1375 -3.5917 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2253 -3.7412 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9388 -2.3901 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5633 -4.0228 -1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2623 -2.7249 -1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2047 -1.2306 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2079 -2.5145 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 2.0557 -2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 0.6390 -3.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 4.4499 -4.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1344 2.3153 -6.3153 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 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 1 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 49114 1 0 50115 1 0 M END