HMDB0265346 RDKit 3D PA(20:3(8Z,11Z,14Z)-O(5,6)/20:5(5Z,8Z,11Z,14Z,17Z)) 120120 0 0 0 0 0 0 0 0999 V2000 15.0679 1.2064 -2.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3213 -0.2343 -1.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6043 -1.1992 -2.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7142 -2.0220 -2.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1826 -2.2497 -0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6181 -1.6007 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8801 -0.8133 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4722 -0.4649 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6156 -0.8857 1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6127 -1.7235 1.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2091 -2.3810 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3171 -3.8468 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3105 -4.6472 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -4.2013 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 -4.6392 1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3807 -3.8157 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 -2.3646 1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 -1.8647 1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 -0.3476 1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7664 0.3274 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 0.7072 2.3011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 0.5872 0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.2657 -0.0165 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0266 0.2699 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 0.8639 -0.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 1.3004 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 1.1688 1.4938 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3918 1.9409 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 3.4112 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4316 4.2265 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 4.0259 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 4.7595 1.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6378 3.3503 1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3448 2.7031 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7354 3.5420 -1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9444 3.7942 -1.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2070 3.3345 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2676 2.5046 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7753 1.3107 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3810 0.5942 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7879 0.2929 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3009 -0.9372 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4735 -2.1010 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3491 -3.0676 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3641 -3.9744 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7080 -3.6354 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6861 -3.1515 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 2.5145 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 3.3539 -0.2896 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 4.7821 -1.1993 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0613 4.4348 -2.6845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 5.8850 -0.8489 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 5.4496 -0.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9370 1.2441 -3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2014 1.6524 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9463 1.8408 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4275 -0.3726 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3242 -0.3239 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8636 -1.2153 -3.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -2.6834 -3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0282 -2.3105 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3687 -3.3890 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6340 -1.8022 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3092 -0.3553 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0809 -0.7399 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4691 0.6817 0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8091 -0.4657 2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0319 -1.9671 2.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1567 -2.0283 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7587 -2.0247 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3197 -4.2665 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -5.7498 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7922 -3.1948 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -4.8317 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9957 -5.7067 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -4.2291 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 -1.8706 2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -1.9379 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 -2.3074 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 -2.1268 2.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -0.0797 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 -0.0065 2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 1.4969 1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 -0.6102 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3252 -0.0500 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 1.6167 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 1.5685 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 3.7318 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 3.6104 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 3.9227 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1518 5.3081 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 4.1202 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9554 2.9596 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4716 2.0498 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0086 1.8980 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9434 4.0398 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0121 4.4748 -2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7745 2.8467 -1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9029 4.2411 -0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 2.9190 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7719 0.7641 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3287 1.0942 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7281 -0.3249 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4625 1.1460 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3623 -0.9682 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9688 -2.6761 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4696 -1.9100 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3609 -3.6937 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9830 -2.5028 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4843 -4.8573 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8861 -4.6241 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6490 -2.8887 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1837 -4.5436 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2963 -3.0109 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1588 -2.2041 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5496 -3.8997 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 2.2338 -1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 2.9981 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6874 6.3480 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5201 6.2034 -0.2438 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 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 2 0 26 28 1 0 28 29 1 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 33 31 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 23 83 1 1 24 84 1 0 24 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 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 47116 1 0 48117 1 0 48118 1 0 52119 1 0 53120 1 0 M END