HMDB0011251 RDKit 3D PC(P-18:0/20:3(5Z,8Z,11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 5.3410 -0.3287 1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7777 -0.3226 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2088 -1.3066 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 -1.2640 -1.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 -1.4312 -1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 -1.4486 -3.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 -1.6399 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -0.5670 -2.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 0.7246 -3.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 1.5097 -3.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 1.1223 -3.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 1.1003 -5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 1.8217 -6.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 2.8016 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7819 2.4659 -5.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 2.1548 -5.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 2.0598 -3.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 0.6488 -3.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2483 0.3441 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9614 0.4127 -1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 0.7052 -1.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 0.1454 0.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 0.2037 0.8219 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3374 -1.0233 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3599 -2.2270 0.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 -2.3871 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3742 -3.5457 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -4.8081 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 -5.4806 -1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -4.9240 -2.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -5.0376 -1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 -4.5449 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4389 -3.0861 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 -2.6912 1.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2474 -3.3724 2.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -2.9152 3.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -3.6378 5.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 -3.5277 5.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3657 -2.1381 5.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -2.2034 5.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -0.9073 6.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 0.0796 5.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 1.4156 5.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 1.3545 1.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9992 2.5437 1.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 3.7899 2.3293 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9516 3.2298 3.7034 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5655 4.6315 2.2077 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8164 4.8660 2.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 5.2772 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 6.2271 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 5.6989 0.4662 N 0 0 0 0 0 4 0 0 0 0 0 0 2.3028 6.2632 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 4.2684 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1282 6.1342 1.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2719 -0.2517 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.5163 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 -1.2743 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0238 0.7438 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 -0.4480 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3575 -1.3065 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0251 -2.3338 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 -0.3601 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0912 -2.1897 -2.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9048 -2.4049 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -0.5527 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 -2.3305 -3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.5111 -3.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -2.6575 -2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9615 -1.7211 -4.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 -0.8916 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 -0.5717 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 1.0701 -2.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 2.4728 -4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 1.8863 -3.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 0.1248 -3.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9931 0.3988 -6.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 1.6919 -7.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 2.8295 -4.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 3.7988 -5.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9273 2.5002 -7.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7502 1.9362 -5.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 2.3316 -3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5265 2.7817 -3.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2171 0.5527 -3.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5792 -0.0874 -3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6839 -0.6912 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0142 0.9873 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 0.4438 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 -0.9009 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -1.0474 2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -1.4926 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3346 -3.5793 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -5.4995 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 -4.6250 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 -6.5385 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -5.6677 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 -3.8603 -2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 -5.4803 -3.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 -4.5244 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -6.1247 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -5.1433 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6289 -4.8119 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5678 -2.5470 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2681 -2.6523 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7391 -1.5928 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0171 -2.8117 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -4.4672 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 -3.2630 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 -1.8093 3.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -3.0720 3.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -4.7238 5.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 -3.2042 5.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -4.1677 6.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -3.8789 4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 -1.4610 4.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8911 -1.7164 6.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 -2.6230 5.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 -2.9805 6.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 -0.4714 7.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 -1.1221 6.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 0.2135 4.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.2954 4.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 1.2049 5.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 1.8740 6.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 2.0712 4.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 1.4024 2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 1.1314 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 5.8765 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 4.4341 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 7.1024 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 6.6078 -0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 5.9372 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 5.8752 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 7.3715 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 3.7720 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 3.8468 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 4.0285 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 7.2286 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 5.6422 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 5.8223 2.5983 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 27 28 1 0 28 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 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 28 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 42123 1 0 43124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 53133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 55141 1 0 M CHG 2 48 -1 52 1 M END