HMDB0265754 RDKit 3D PA(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 132132 0 0 0 0 0 0 0 0999 V2000 11.0513 -1.7424 -3.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3743 -1.2437 -3.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0713 -2.2749 -2.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2814 -2.6679 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0359 -1.4465 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2592 -1.7506 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0947 -1.2168 1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4456 -0.2548 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -0.8428 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 -0.2612 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8526 0.9987 0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 0.9078 2.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 2.2881 2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2039 3.2983 1.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 2.8864 1.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 3.8499 0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 4.0955 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 3.0771 -1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6262 1.7147 -1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 0.8203 -2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.5581 -2.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0863 -1.2897 -1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -2.5746 -1.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -0.7117 -0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 -1.2036 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 -1.5693 0.6727 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0748 -2.6892 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 -2.3822 -1.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 -3.6177 -2.5668 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7130 -3.8165 -3.6815 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 -5.0403 -1.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -3.1644 -3.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -0.4514 0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 0.1297 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 -0.4042 2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 1.3193 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 1.1009 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4094 0.5746 1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 1.4546 2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6328 2.0629 2.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9162 1.9645 1.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 3.3178 1.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3829 3.9310 1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4259 3.5239 2.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4168 2.2809 3.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3678 1.3725 3.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5449 1.4324 2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6891 0.3770 1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7656 -0.9771 1.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5558 -0.6187 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1131 -0.8455 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1707 -1.3531 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7319 -2.6713 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8108 -3.0077 -1.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2055 -3.0801 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8801 -1.3065 -4.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0591 -2.8350 -3.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2053 -1.3580 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3279 -0.2499 -2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 -1.1424 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0246 -1.8155 -2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 -3.1602 -2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9155 -3.3578 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 -3.2295 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 -0.5325 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1002 -1.2217 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 -2.4851 1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5604 -1.4992 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0012 -0.1763 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4185 0.7662 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2078 -1.8185 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 -0.7689 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2983 1.6976 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 1.5531 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 0.4201 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5517 0.2892 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3803 2.2021 3.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 2.6055 2.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 4.2479 2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 3.4779 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 3.0467 2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6206 1.8266 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8971 3.5492 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 4.8726 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 5.0705 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 4.3222 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9027 2.9091 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 3.4469 -2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 1.7389 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 1.2063 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.7857 -2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 1.2678 -3.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8618 -0.5669 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 -1.1329 -3.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -0.5127 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -2.1188 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 -1.8474 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 -3.6517 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 -2.9270 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -5.5970 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 -3.1647 -2.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4724 1.7132 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 2.1465 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4048 0.3734 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 2.0425 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 0.1983 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -0.3785 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 1.6432 2.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6435 2.7197 3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6614 1.3172 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 1.4369 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6257 3.8350 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5093 4.9616 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5245 4.3880 3.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4151 3.7061 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6106 2.0594 4.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2523 0.4479 3.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7916 2.4073 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4330 1.2735 3.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3132 0.5556 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7377 -0.5191 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7085 0.1356 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2575 -1.5644 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7008 -1.3992 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9835 -0.5794 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9366 -3.4545 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2021 -2.6307 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2884 -3.9533 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5539 -2.1632 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2359 -3.6513 -3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0721 -2.0714 -3.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9292 -3.6030 -3.7529 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 50 48 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 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 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 55132 1 0 M END