HMDB0008535 RDKit 3D PC(22:0/18:3(9Z,12Z,15Z)) 148147 0 0 0 0 0 0 0 0999 V2000 4.8683 -5.4060 -7.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 -3.9217 -8.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -3.6608 -8.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 -2.8251 -8.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 -2.0263 -7.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5106 -2.4003 -6.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 -2.9009 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8272 -3.1585 -4.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 -2.3718 -3.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -2.8987 -2.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 -4.3196 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -4.8753 -1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 -4.1463 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 -4.6609 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 -4.5145 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 -5.0794 1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6334 -4.4872 2.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0733 -3.0489 2.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -2.4265 1.8551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 -2.3548 4.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -1.0661 4.3016 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7644 -0.1328 5.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 0.2203 4.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -0.4304 4.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 -1.6601 4.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 0.4251 3.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 0.7461 1.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2302 -0.4624 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -0.2039 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 0.3986 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7979 0.6303 -1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1332 1.1513 -2.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6009 2.5025 -1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 3.2125 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 3.7937 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 4.4734 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 5.1801 0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 4.5357 0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 3.7965 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 3.3555 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 2.6249 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 3.4683 -2.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 2.6510 -3.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3048 3.4931 -4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 2.7156 -5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0635 3.5864 -7.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -0.9609 5.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 -1.5381 6.2793 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4665 -1.4009 7.0869 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6110 -2.5530 8.0699 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7783 -1.4820 6.0291 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.5278 0.0405 8.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3977 0.9039 7.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5682 2.2263 8.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 2.9924 8.1899 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7578 4.3426 8.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 2.4992 9.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 3.1530 6.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -5.5887 -7.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 -5.9384 -8.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 -5.6806 -7.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9985 -3.3014 -7.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7511 -3.7678 -8.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 -4.2091 -9.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 -2.7096 -9.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -1.9864 -6.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -0.9526 -7.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 -2.2401 -7.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 -3.1299 -4.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6781 -3.0056 -5.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7687 -4.2646 -4.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -1.2822 -3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -2.1885 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2077 -5.0055 -2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0016 -4.5050 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -5.9542 -0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -4.6609 -1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9802 -4.3299 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8933 -3.0769 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -5.7548 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 -4.1937 2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5489 -5.0998 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 -3.4797 0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -4.9312 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 -6.1876 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -4.6197 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4747 -5.0283 3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.5348 3.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 -0.4873 6.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 0.8215 5.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 1.3226 4.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5515 -0.1596 3.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 1.1804 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 1.5423 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -1.1986 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -0.9764 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 0.4271 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 -1.1565 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 -0.4561 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 1.2399 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 -0.3722 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 1.2174 -2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9193 0.3995 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 0.9097 -3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 2.5576 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 3.1385 -2.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 2.6050 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0419 4.0987 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 3.1542 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9739 4.6350 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 3.6550 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 5.1323 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 6.0901 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 5.8002 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 5.3543 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 3.9038 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 4.2957 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 2.7908 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 2.7595 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 4.3022 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 1.6948 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 2.3367 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 3.7558 -2.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 4.3521 -2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 1.7240 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 2.3938 -3.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 3.8652 -5.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 4.3658 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 2.3603 -5.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 1.8231 -6.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 4.0705 -7.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 2.9616 -8.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 4.3827 -7.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 -1.5388 4.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 0.0787 5.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1539 1.0881 6.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3991 0.4114 7.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2565 2.8250 7.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0706 2.1800 9.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 4.7655 9.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 4.3750 9.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7731 5.0301 7.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8096 1.7047 8.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 3.3254 9.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9883 2.1683 10.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0209 4.0417 6.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3431 3.1584 6.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0022 2.2654 6.8370 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 1 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 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 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 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 6 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 56140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 58148 1 0 M CHG 2 51 -1 55 1 M END