HMDB0008323 RDKit 3D PC(20:1(11Z)/24:1(15Z)) 162161 0 0 0 0 0 0 0 0999 V2000 1.6167 6.9877 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4108 6.7470 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 5.2896 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 4.9298 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 5.1749 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 4.8674 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4141 3.4652 -1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3977 2.4618 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4782 2.6956 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 1.8278 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4928 0.4919 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3261 -0.5484 1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4429 -1.9635 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1678 -2.9039 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0463 -2.7544 3.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6487 -3.7687 4.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5241 -3.5031 5.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3154 -4.3471 6.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9171 -4.2844 7.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -2.9264 7.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 -3.0210 8.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4984 -1.6917 8.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 -0.7359 7.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 -1.1972 6.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 -2.3088 6.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.4738 5.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 -0.8848 4.5797 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5365 0.0402 5.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 -0.2841 4.1944 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2951 -1.4804 4.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9188 -2.4132 4.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 -1.7278 3.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -0.5989 2.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8045 -0.8997 1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9801 0.2155 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 1.5309 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3641 2.6190 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 2.7890 -0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 3.9102 -1.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 3.9095 -2.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 4.9405 -3.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 4.7291 -4.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5225 3.3608 -5.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 3.0910 -6.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6847 1.8287 -7.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8672 0.5211 -6.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 0.0158 -5.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 -1.4177 -5.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 -1.9793 -4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -2.0297 -4.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -0.7783 3.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -1.5200 2.5721 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 -1.3269 0.8733 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5773 -1.7695 0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 0.2685 0.4097 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9108 -2.3384 0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -2.2342 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 -3.0781 -2.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -4.4945 -1.8118 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3959 -4.9480 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 -4.9252 -1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 -5.1767 -3.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 7.9650 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 6.9472 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 6.1923 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4677 7.0567 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 7.3547 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 5.1055 -0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 4.6975 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 5.4702 -1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 3.8369 -1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 4.5917 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 6.2500 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 5.5390 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 5.1949 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 3.2585 -2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3248 3.3242 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 1.4770 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 2.6351 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4856 3.6987 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1929 2.1187 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8216 0.2943 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5379 0.3755 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 -0.3682 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -0.4238 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 -2.1173 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4028 -2.1624 0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 -2.8018 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2572 -3.9653 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1198 -2.8968 2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9475 -1.7254 3.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 -4.7640 3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -3.6192 4.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5853 -3.7027 5.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5002 -2.4113 5.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0645 -4.0517 7.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5226 -5.4044 6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9038 -4.9106 8.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1997 -4.7811 6.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 -2.5516 8.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4115 -2.2832 6.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4193 -3.4416 7.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 -3.7881 8.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 -1.2122 9.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -1.7803 9.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 0.2067 7.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 -0.4108 6.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 -1.8954 4.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -0.2018 6.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 1.0901 4.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.6946 2.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4010 -1.7481 3.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -0.3496 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 0.3026 2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 -0.9768 1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -1.8501 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0613 0.2681 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 -0.0447 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 1.8459 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5050 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6193 3.5974 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2296 2.3654 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 1.8312 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 3.0080 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 3.8306 -2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 4.8622 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 4.2357 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 2.9038 -2.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9577 6.0005 -3.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 5.5454 -5.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 2.6142 -4.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 3.4706 -6.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 3.9214 -7.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 3.2810 -5.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 1.9600 -7.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 1.8175 -7.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9121 0.5213 -6.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -0.2915 -7.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 0.5856 -4.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 -0.0046 -5.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 -2.0464 -6.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -1.3475 -4.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 -3.0293 -4.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -1.4153 -3.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -1.9970 -5.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 -2.9630 -4.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3581 -1.1333 -4.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.2864 2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -1.1220 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.4049 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -1.1665 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -2.9291 -3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 -2.7827 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 -6.0348 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -4.3699 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 -4.8077 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -4.6088 -2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 -6.0448 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 -4.6828 -0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4505 -6.1884 -3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9664 -5.2263 -3.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 -4.5880 -3.9209 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 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 2 0 30 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 2 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 27 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 22104 1 0 22105 1 0 23106 1 0 23107 1 0 27108 1 6 28109 1 0 28110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 48141 1 0 48142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 60154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 62162 1 0 M CHG 2 55 -1 59 1 M END