HMDB0287384 RDKit 3D PC(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:3(8Z,11Z,14Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -9.8364 4.4934 -3.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3013 3.4672 -2.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6669 4.1180 -1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5054 5.0173 -1.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9389 5.6095 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0357 6.3568 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5806 6.1715 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2893 5.2126 2.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2086 4.2775 2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3207 2.9693 2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6384 2.3172 2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8743 1.4118 3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1798 0.1516 3.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3262 -0.5188 1.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4203 -1.6983 1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9499 -1.3124 1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -2.5368 1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 -2.4225 1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 -1.9856 2.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -2.0642 2.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -1.8661 3.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 -2.3792 1.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -2.5378 1.6732 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1497 -1.6514 0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0681 -0.2828 1.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 0.5620 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 0.1158 -0.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 2.0223 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 2.2822 1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 1.9740 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 2.6685 0.9923 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7664 4.0703 1.2293 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 2.3119 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 1.6595 -0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 1.2362 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 0.5933 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2802 0.1520 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2108 -0.4731 -1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4685 -0.9460 -0.4480 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1760 -1.5774 0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4460 0.1932 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8897 1.1949 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7683 2.4560 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 3.0702 -0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8970 3.6778 -1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2179 4.3585 -2.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1774 5.4980 -2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5472 6.5199 -1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -4.0005 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -4.8308 2.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -6.4377 1.9170 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8673 -6.9694 1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 -7.3939 3.2421 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5782 -6.6547 0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -7.7063 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 -7.8766 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -8.9375 -2.1998 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.1797 -8.4858 -3.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0378 -9.2925 -2.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 -10.0689 -1.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8458 5.5314 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2039 4.4988 -4.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8721 4.2753 -4.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6004 2.7648 -3.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1817 2.8799 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4322 4.7302 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2626 3.3722 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 4.4643 -2.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8141 5.8599 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5369 4.7489 -0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1221 6.2972 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4946 7.2074 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4518 6.8682 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0258 5.8869 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2628 4.7874 2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 4.6614 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4389 2.3179 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5016 3.0109 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6871 1.7955 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 1.8305 4.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3463 -0.4934 3.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3952 0.1358 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3932 -0.9991 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6399 -2.5277 2.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5747 -2.0900 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7458 -0.8133 2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7531 -0.5972 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3741 -2.9437 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4543 -3.2939 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2307 -1.7373 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1733 -3.4122 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 -2.6964 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 -0.9922 3.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 -2.3826 2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 -1.9452 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 -1.8488 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 2.1895 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 2.6473 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9732 1.6572 2.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 3.3628 2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 0.8364 1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 2.1431 2.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 2.4870 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 4.4865 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 2.5467 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8097 1.4173 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 1.3797 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 0.4043 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 0.2976 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 -0.6195 -2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9884 -1.6217 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0277 -1.7687 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8130 0.5310 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3168 -0.2968 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5655 0.9062 1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3325 3.1503 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6381 2.4004 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8395 3.9447 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1959 2.8347 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 4.4229 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7177 3.5770 -3.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2656 4.7115 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1379 5.1975 -2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2860 5.9920 -3.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4464 6.4436 -1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 7.5158 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8352 6.2581 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -4.0724 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 -4.2708 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8431 -7.4060 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 -8.6310 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2756 -6.9391 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 -8.1361 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -8.8589 -2.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -8.8541 -4.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -7.3703 -3.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -9.2019 -3.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 -8.5882 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -10.3284 -2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 -10.9376 -2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -10.3831 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 -9.8911 -0.9990 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 1 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 1 32104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 6 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 53 -1 57 1 M END