HMDB0288304 RDKit 3D PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 143142 0 0 0 0 0 0 0 0999 V2000 0.7869 -0.0111 -5.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -1.4234 -5.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 -1.4133 -6.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -0.7265 -6.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -1.3912 -5.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -0.6488 -4.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 -0.0446 -3.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3181 -0.0105 -2.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -0.6254 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5514 -0.0454 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 1.3972 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4374 2.1216 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 2.8051 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2606 3.0486 2.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 2.6340 2.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 1.7717 3.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 1.1237 4.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7971 1.3559 5.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7125 0.4154 6.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 -0.9892 6.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 -1.6896 6.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -1.0412 6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 0.1889 6.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -1.6768 6.4274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 -1.1955 6.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -0.3497 5.0578 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0611 -0.8102 3.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 0.3082 2.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 0.2023 1.3976 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6029 -0.6805 1.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 -0.3351 0.3422 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8719 1.8046 0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 2.1043 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 3.5273 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 3.9657 -1.9082 N 0 0 0 0 0 4 0 0 0 0 0 0 1.0725 4.0744 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 5.2661 -2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 3.0797 -2.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 0.0274 4.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5225 1.2571 4.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8114 2.2496 5.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9555 1.4408 4.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 1.5164 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 2.6321 2.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 2.6705 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 1.8107 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 1.8895 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3932 1.0789 -1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 0.0276 -1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 0.3474 0.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 -1.2868 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3771 -2.2414 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 -3.3553 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 -3.7685 -2.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5429 -5.0992 -2.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -5.3809 -2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 -4.3644 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -4.4774 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -3.4978 -1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -3.7167 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 -3.5353 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 0.0385 -4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6201 0.6617 -6.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0934 0.3434 -4.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1274 -2.0392 -4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3352 -1.8787 -5.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -0.8381 -7.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7632 -2.4614 -7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6401 0.3299 -6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 -0.6434 -7.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 -2.4635 -5.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 -1.4068 -4.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.5826 -5.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 0.5181 -3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 0.9954 -2.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4146 -0.6575 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 -1.6655 -1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1629 -0.5644 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 1.8305 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 1.4361 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0839 2.0691 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9108 3.3042 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0592 2.8878 2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 4.2463 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 3.0714 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6891 1.5095 3.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8289 1.2565 3.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 0.0126 4.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8779 2.4305 5.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 0.7053 7.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -1.3092 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5043 -1.5218 6.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 -1.6129 7.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 -2.7754 6.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 -2.1480 6.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -0.8179 7.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0991 0.6465 5.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.7183 3.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -0.9784 3.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7116 2.0774 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 1.3659 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 4.1640 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 3.6265 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 4.4705 -2.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 4.7331 -1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 3.0340 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 5.1742 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6731 5.5568 -3.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 6.0624 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 3.1179 -3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 2.0769 -2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 3.4969 -3.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5764 0.6015 4.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3715 2.3701 4.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2526 1.7055 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 0.5375 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 2.5515 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6781 3.6332 2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1143 3.4145 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 1.0791 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0477 2.6640 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4397 1.2433 -2.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 -0.2749 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 1.2799 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 -1.0624 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 -1.5453 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8252 -2.0098 0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -4.0438 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -3.0233 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1263 -3.9488 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 -5.9348 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9969 -6.4376 -2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 -4.5656 -3.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -3.3447 -2.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -4.3300 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 -5.5084 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -2.4461 -1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -3.6732 -2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 -2.9913 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -4.7191 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -2.9107 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8646 -4.5455 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 -2.9814 0.3647 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 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 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 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 33100 1 0 33101 1 0 34102 1 0 34103 1 0 36104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 38112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 60139 1 0 60140 1 0 61141 1 0 61142 1 0 61143 1 0 M CHG 2 31 -1 35 1 M END