HMDB0008725 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) 136135 0 0 0 0 0 0 0 0999 V2000 7.6954 -2.6501 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 -1.9434 1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 -1.1990 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 0.0921 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7996 0.9218 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1921 1.9342 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2281 3.1968 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9266 3.9712 1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9097 4.9881 1.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 5.2276 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 4.5140 3.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 4.0893 3.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 2.9251 3.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 1.7340 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 0.8251 2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 -0.4057 2.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -1.0685 4.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1835 -1.6054 4.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3059 -1.2347 5.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 -0.2016 6.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 0.8883 6.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 1.6307 5.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 2.8856 5.1734 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 1.1355 3.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 2.0495 2.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5308 1.4152 1.4207 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1801 1.1856 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 0.7945 -0.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8447 0.6023 -1.5817 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9176 1.7111 -2.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 0.6448 -0.6428 O 0 0 0 0 0 1 0 0 0 0 0 0 0.8822 -0.8901 -2.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -0.7026 -3.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -2.0766 -4.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 -2.0569 -5.8107 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.7814 -1.1415 -6.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 -1.7494 -6.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -3.3964 -6.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 2.4283 0.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 2.0017 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 0.8448 0.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1908 2.9238 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4344 2.3532 -1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1888 1.1798 -2.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4307 0.6698 -2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 0.1900 -2.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2114 -0.9747 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8159 -2.2041 -1.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6211 -3.3647 -0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2284 -4.6178 -1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8967 -4.5498 -2.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7636 -4.3359 -1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -4.2805 -2.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 -4.1253 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -2.8929 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 -2.7783 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0565 -3.4949 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 -1.9227 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6544 -3.0834 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 -2.7516 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 -1.4123 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 -1.7494 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 0.5667 0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 0.3833 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3014 1.4722 2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 1.5416 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 3.8378 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9016 4.5192 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7885 3.3286 2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 5.6515 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 6.0903 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 5.2684 4.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 3.7563 3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 4.9366 3.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 2.7832 3.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 1.9871 3.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 1.2961 4.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 1.2702 1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5572 -0.9869 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 -0.5487 5.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 -2.0532 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 -2.3908 3.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 -1.6709 5.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 -0.7506 7.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 0.1528 6.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.6368 6.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 0.5029 6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 2.9481 2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 2.4058 3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 0.4845 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 2.0689 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 0.3047 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 -0.4171 -3.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1738 0.0424 -4.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -2.6830 -3.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 -2.5517 -4.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -1.3848 -7.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -1.3806 -5.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 -0.0932 -6.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 -0.6583 -6.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -2.2051 -7.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 -2.1769 -6.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -3.6195 -7.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 -3.4120 -5.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3436 -4.1669 -5.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 3.3170 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 3.8561 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2031 2.1222 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8951 3.1925 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 0.4045 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5183 1.5398 -3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1735 -0.1256 -3.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8547 1.5225 -3.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9870 1.0232 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3494 -0.1519 -2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4227 -0.7739 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1690 -1.2160 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5105 -2.4342 -2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8317 -1.9595 -2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -3.5824 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9094 -3.0547 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2266 -5.5119 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9935 -4.7813 -2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9239 -3.8060 -3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7469 -5.5457 -2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6676 -5.1589 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 -3.4096 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -3.4107 -2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -5.1706 -2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -5.0564 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 -4.0660 -1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 -2.8975 0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 -2.0202 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 -1.9964 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4805 -3.7181 0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 -2.4499 1.4807 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 2 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 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 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 36 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 38105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 31 -1 35 1 M END