HMDB0265707 RDKit 3D PA(18:2(9Z,11E)+=O(13)/22:1(13Z)) 130129 0 0 0 0 0 0 0 0999 V2000 13.5840 3.3163 -1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5293 2.3819 -2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0082 1.3033 -1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0384 0.3343 -0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9301 0.8338 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 -0.3584 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8562 -1.3658 1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 -2.4653 1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 -1.8754 2.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 -1.8971 2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 -2.5114 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4372 -1.4762 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 -0.8802 0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5907 0.1984 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1395 -0.4139 -1.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0857 -1.4410 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -1.1537 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -0.2603 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 1.2082 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4644 1.7574 -1.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9989 1.6445 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 0.3320 -1.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6448 -0.5696 -2.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 -0.0069 -0.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -1.2731 -0.6464 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6830 -1.1460 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 -0.3904 0.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 -0.0392 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 -0.4262 -0.3848 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 0.7901 1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6868 2.2096 1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7275 2.7393 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0364 3.0302 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9183 2.0870 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4418 0.9295 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3543 0.0329 1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4908 0.8404 2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7229 0.5411 1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0835 -0.5874 1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3516 -0.8658 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7346 -1.9988 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8854 -2.7968 -0.6011 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1716 -2.2270 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5375 -1.4955 -1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2994 -0.0066 -1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6947 0.6302 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5139 2.1218 -2.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 -2.1019 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -1.5104 1.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 -2.5155 3.0796 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5490 -3.8287 2.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -1.6915 4.4894 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -2.7407 3.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5319 3.2656 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6796 3.2893 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8683 4.4014 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1607 2.0149 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4442 2.9892 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5927 1.7607 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8055 0.6836 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6366 -0.3706 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6426 -0.3667 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3293 1.3765 1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1975 1.4938 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3205 0.0759 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 -0.8515 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6317 -1.9079 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 -0.9905 2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -3.1956 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -2.9982 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9032 -1.3791 3.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6724 -1.4299 2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7788 -3.1244 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1895 -3.2242 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2387 -1.9705 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2372 -0.7433 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 -0.3228 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -1.5686 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7828 0.5755 0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3303 1.0160 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.8076 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7972 0.4115 -2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -2.1214 -2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -2.2456 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 -0.8488 -2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 -2.1783 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6653 -0.4704 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0492 -0.5209 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 1.6741 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 1.6425 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 1.3186 -2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7496 2.8404 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 2.2059 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 2.2844 -2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 -1.8466 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 -2.1678 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8744 -0.7457 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8104 0.4820 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.5188 2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 2.3072 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5525 2.8376 2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3235 3.7023 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 2.0905 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8809 3.8966 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6826 3.5481 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8299 2.7496 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5961 1.7185 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6296 0.3023 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0019 1.2714 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7733 -0.2615 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6132 -0.8795 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2925 1.7338 2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5426 1.1855 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3685 -1.2707 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1059 -0.2071 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7533 -1.7317 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4136 -3.3072 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5882 -1.6448 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9054 -1.8402 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9351 0.4230 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2378 0.2288 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7535 0.3926 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0355 0.2375 -3.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1717 2.5178 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8816 2.4920 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5169 2.6191 -2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 -3.0928 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -2.2785 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.7223 4.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 -1.8872 2.8142 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 1 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 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 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 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 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 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 6 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 52129 1 0 53130 1 0 M END