HMDB0288762 RDKit 3D PC(24:1(15Z)/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 155154 0 0 0 0 0 0 0 0999 V2000 -5.3835 1.9725 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6418 1.5446 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4482 0.2510 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 0.0395 2.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8449 1.1073 3.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6846 1.1929 4.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 2.2431 4.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 3.5174 3.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3817 4.6355 4.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5533 5.8590 4.2028 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 4.7997 5.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 5.9175 5.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 6.1414 6.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 7.1507 7.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 8.3675 6.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 8.5929 5.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 8.7390 3.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 8.7004 3.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 7.5478 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 6.2211 3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 5.0517 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 5.1526 1.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 3.8098 2.9318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 2.5918 2.3051 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6997 1.6228 2.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4519 0.3802 1.9521 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3036 -0.6902 2.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -0.5933 2.6905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -2.0104 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8275 -1.8708 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.9127 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 -1.3899 -1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4356 -0.3741 -2.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 -0.9081 -3.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 -0.0749 -4.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 0.1669 -5.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -1.0593 -6.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9855 -1.9697 -6.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 -3.1543 -7.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6005 -3.9919 -6.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 -5.1621 -6.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 -5.9051 -5.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -6.0750 -5.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 -5.5442 -6.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -4.6029 -5.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0638 -3.9684 -6.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -4.9088 -6.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7402 -5.7711 -5.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 -4.9372 -4.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0897 -5.8398 -3.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -6.7044 -2.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 1.9397 2.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6356 1.7335 4.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 1.0257 4.8062 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8976 -0.4862 4.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 1.5935 6.3946 O 0 0 0 0 0 1 0 0 0 0 0 0 3.3747 1.3689 3.8543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 0.2169 3.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 0.4978 2.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2416 1.5255 3.4129 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7147 2.1831 4.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5524 1.0011 3.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 2.5057 2.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4771 1.5136 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3194 3.0651 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 1.5430 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9209 2.3904 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4198 1.3925 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2129 -0.6071 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3761 -0.9653 2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1925 2.0417 3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7516 0.7648 4.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4721 0.2685 4.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 2.1555 5.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9508 3.4931 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 3.8249 3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 4.4212 5.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4845 6.1707 4.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1976 4.0181 6.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 6.5920 5.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 5.3115 7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 7.1064 7.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 8.5017 6.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 9.2342 7.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 8.7104 5.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 8.9062 3.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 9.6173 2.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1501 8.8164 4.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 7.5685 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 7.6394 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 6.1506 3.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 6.0945 4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 2.6889 1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8714 1.5139 3.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 2.0741 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 -2.3359 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 -2.7238 2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -1.4448 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -2.8366 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1632 -0.9369 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 0.1095 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9558 -2.3632 -1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.5307 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 0.5862 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -0.2811 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -0.9557 -2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 -1.9701 -3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 0.9243 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7762 -0.5429 -5.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 0.6932 -5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 0.9066 -6.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2871 -0.7268 -6.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 -1.5649 -5.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 -1.4455 -7.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 -2.3173 -6.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -2.8207 -8.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 -3.8149 -8.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 -3.3693 -5.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3677 -4.4421 -5.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -4.7072 -7.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5225 -5.8379 -7.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -6.3597 -5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 -6.6455 -4.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 -5.1562 -7.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -6.4282 -6.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -3.7662 -5.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -5.1769 -4.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 -3.3961 -7.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 -3.2783 -5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -4.2565 -7.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7414 -5.4973 -7.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5607 -6.3389 -6.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0736 -6.5397 -5.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7772 -4.1986 -4.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.3804 -5.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 -6.4441 -4.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5535 -5.1712 -2.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -6.1606 -2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 -6.9795 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -7.6389 -3.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 2.5102 2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 0.9479 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 -0.5576 3.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4036 -0.2324 4.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9511 -0.4631 2.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 0.7567 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 1.4594 5.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 2.7039 5.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 2.9871 4.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 1.8664 3.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5479 0.6086 4.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9145 0.2558 3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9271 1.9930 1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 2.8561 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 3.3342 2.7444 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 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 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 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 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 61147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M CHG 2 56 -1 60 1 M END