HMDB0287226 RDKit 3D PC(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 145145 0 0 0 0 0 0 0 0999 V2000 7.3313 2.9853 2.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 2.1813 3.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 3.1138 4.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 3.1634 4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 2.4240 3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 1.4486 2.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 1.7764 1.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 1.5236 1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 0.2036 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 0.4407 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 0.0871 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 -0.6149 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 -1.0381 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 -2.2289 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -3.4486 -1.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 -4.4414 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -5.0558 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 -4.8760 -1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -4.5787 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 -3.5515 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -2.4141 -1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 -2.2802 -2.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -1.0974 -3.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -1.2011 -4.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 0.0909 -2.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.2545 -3.6368 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8260 2.3368 -2.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 2.5638 -1.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 3.5253 -0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 4.2430 -0.9486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 3.7600 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 2.5363 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 2.8331 2.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1659 1.6282 2.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 0.4549 2.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 0.7531 4.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 -0.4706 4.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -0.1025 5.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 -1.2320 6.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -0.7627 7.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6488 7.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 -1.0056 6.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 -2.0953 6.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -2.0195 6.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1334 -0.8397 6.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -1.1436 5.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 -2.2308 5.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 -2.4482 4.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 -2.8740 3.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 1.7115 -4.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4051 0.8047 -5.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8803 1.3377 -5.6359 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5098 0.2328 -6.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9511 1.6976 -4.3771 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.7352 2.7229 -6.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 2.3672 -7.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6714 3.5331 -8.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 4.2872 -8.7443 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2592 3.5029 -8.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 5.1731 -7.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4041 5.1909 -9.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0919 3.6632 2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5797 3.5291 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8404 2.2678 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 1.3797 2.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5305 1.7370 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6072 3.8366 4.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 3.9755 5.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 1.9326 4.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 3.2147 3.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 0.3833 3.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 2.3816 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -0.1917 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 -0.4444 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.9972 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 0.3828 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -1.4992 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 0.0621 -2.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 -0.2067 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 -2.3764 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 -3.8974 -2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 -3.3069 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 -4.7181 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 -5.8216 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 -4.1048 -2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9639 -5.8447 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -5.3586 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 -3.5144 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -1.4456 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -2.4743 -2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 -3.1922 -2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 -2.2080 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 1.0570 -4.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7597 2.1212 -2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 3.3028 -3.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 4.6386 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 3.9632 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 2.2813 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8913 1.7183 1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6815 3.1481 3.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0378 3.7150 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 1.3829 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8438 1.8444 3.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 0.1416 2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -0.4398 3.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 1.5961 3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0051 1.0344 4.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 -1.3154 4.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9102 -0.7258 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 0.1092 6.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 0.7652 5.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -2.0691 6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 -1.6253 5.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -0.4847 8.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -0.2877 8.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6312 -1.2011 5.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7191 -0.0695 6.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -3.0381 6.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 -2.9563 7.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 -0.0187 5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -0.4640 7.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -1.4068 4.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6338 -0.2096 4.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -3.1744 5.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 -1.8988 6.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7643 -3.2070 4.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4904 -1.4887 4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 -2.0537 2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8715 -3.2453 2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4483 -3.6949 3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4788 2.0415 -3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 2.6340 -4.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7061 1.8173 -8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9235 1.6604 -8.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5251 4.2110 -8.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6839 3.1226 -9.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 4.0153 -9.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4312 2.5464 -9.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 3.3279 -7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3482 5.8240 -7.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5823 5.8578 -7.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 4.6139 -6.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 6.1344 -9.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3754 5.3177 -10.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9743 4.7477 -10.7672 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 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 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 8 6 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 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 6 27 94 1 0 27 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 54 -1 58 1 M END