HMDB0011300 RDKit 3D PC(P-18:1(11Z)/P-18:1(11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 0.0440 1.7805 7.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 2.2957 6.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 3.6481 6.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 4.2297 5.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 4.3629 4.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 5.0303 3.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 5.1493 2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 4.6831 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0369 3.9252 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 2.5261 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 1.9616 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 0.6142 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -0.4186 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 -0.6214 1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 -1.6984 2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 -1.3970 2.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -2.4854 3.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 -3.0951 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 -2.7879 2.7244 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -3.6228 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 -2.6825 1.0698 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5047 -2.0372 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 -1.3444 3.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8711 -0.7179 4.2015 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7461 0.8087 4.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 -1.0607 3.6915 O 0 0 0 0 0 1 0 0 0 0 0 0 2.6066 -1.1257 5.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 -1.7134 6.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 -1.9865 7.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 -2.5999 8.0381 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0212 -1.9559 7.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 -4.0126 7.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 -2.3477 9.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 -1.7135 0.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -0.7723 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 -0.6269 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5387 -1.4723 -2.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 -0.7762 -3.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 0.3070 -4.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 0.9089 -4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 2.0426 -5.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 2.0357 -6.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 1.8125 -6.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 1.9548 -8.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2665 1.7578 -8.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 0.8127 -9.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 -0.1651 -10.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -1.6052 -9.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 -1.8953 -10.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0974 -3.2971 -9.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -4.3163 -10.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 -5.7022 -10.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 1.0044 7.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6871 2.6095 8.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 1.3294 8.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 2.3251 5.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 1.5579 6.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8769 3.5841 7.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4814 4.3275 7.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 3.7472 5.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 5.2875 6.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 4.9666 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 3.3430 4.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3444 4.6255 3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 6.0860 3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 5.7059 2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1153 4.8639 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6182 3.7274 1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 4.4360 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3141 1.9171 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 2.5701 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 1.9217 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 2.7197 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4364 0.7393 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 0.2999 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 -1.4083 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 -0.0499 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 -0.7589 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3442 0.3576 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -2.6270 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5935 -1.9025 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -0.4712 3.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 -1.2191 2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7436 -2.7892 4.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 -3.9052 4.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4236 -4.2067 2.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -4.2757 1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 -3.3285 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 -2.8444 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2831 -1.3882 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 -2.6526 5.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 -0.9844 5.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 -2.6522 7.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -1.0628 8.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -0.8780 7.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -1.9907 8.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4271 -2.4908 6.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -4.2613 7.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 -4.5420 8.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 -4.3521 6.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -1.3027 9.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8995 -2.5158 9.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -3.0020 9.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 -0.1043 0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 0.1219 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 -2.2618 -1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -2.0799 -3.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3214 -0.3561 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.5271 -3.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -0.1884 -4.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 1.0840 -3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 0.1042 -5.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 1.1990 -3.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 2.4016 -5.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 2.8988 -4.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 3.0444 -7.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 1.2884 -7.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 2.6473 -6.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 0.8192 -6.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 1.4041 -9.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 3.0462 -8.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 2.4122 -8.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 0.7295 -9.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -0.0711 -11.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8174 -0.0600 -10.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 -2.3206 -10.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 -1.6891 -8.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3474 -1.2131 -9.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 -1.7867 -11.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -3.4234 -8.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 -3.4185 -9.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 -4.2709 -11.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -4.2382 -10.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 -5.7358 -10.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 -6.4871 -10.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 -5.8297 -9.1216 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 2 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 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 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 41 42 1 0 42 43 1 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 20 86 1 0 20 87 1 0 21 88 1 6 22 89 1 0 22 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 33103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M CHG 2 26 -1 30 1 M END