HMDB0287409 RDKit 3D PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 139138 0 0 0 0 0 0 0 0999 V2000 9.8677 -2.7255 -6.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9126 -3.8963 -6.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8444 -3.9517 -7.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -3.8356 -6.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 -3.6340 -5.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8795 -2.8920 -4.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 -4.8605 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0084 -4.5261 -3.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 -4.6030 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -4.2738 -1.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 -4.3281 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 -4.7315 -2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -3.5391 -2.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -2.9030 -3.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 -3.3363 -4.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.3460 -5.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 -1.7710 -6.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 -1.9801 -7.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1118 -0.7756 -7.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -0.1032 -6.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9176 0.5237 -5.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 0.6881 -5.4929 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 0.9737 -4.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 1.5455 -3.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4772 0.7795 -1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 0.4505 -1.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 1.3075 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 2.5251 -0.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 0.8412 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 1.8384 1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 2.0743 2.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 2.9981 3.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 3.2251 4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 1.8976 4.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2682 1.1990 5.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 0.7895 7.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 0.9858 7.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -0.1000 8.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 -1.3607 7.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1166 -2.1293 7.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -3.2820 7.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -3.5754 8.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -2.6967 7.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -2.4711 9.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -1.9648 10.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 -0.6409 10.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.3881 11.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 3.0226 -2.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3422 3.7008 -4.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 5.3701 -3.9603 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6620 5.6924 -3.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 6.0555 -5.5020 O 0 0 0 0 0 1 0 0 0 0 0 0 0.9134 5.9572 -3.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 5.8931 -3.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 6.3967 -3.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 5.7085 -2.0779 N 0 0 0 0 0 4 0 0 0 0 0 0 4.1246 6.7101 -1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 4.8619 -2.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 4.8864 -1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8639 -2.4201 -7.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9071 -3.0204 -6.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5396 -1.8088 -5.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 -4.7995 -6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6626 -4.0846 -5.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -4.1062 -8.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8617 -3.9000 -7.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1633 -2.9472 -5.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 -2.6243 -3.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -5.6734 -4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5732 -5.1989 -5.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 -4.1989 -2.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 -4.9210 -3.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -3.9605 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8655 -4.0630 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 -5.1552 -3.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 -5.5163 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 -3.2088 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -1.9989 -3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 -3.4785 -5.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -4.3015 -4.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 -2.0967 -4.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 -1.0713 -6.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -2.2132 -8.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -2.8992 -7.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 -0.0522 -8.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 -1.0910 -8.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -0.8919 -5.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 0.6181 -6.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 1.4960 -3.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 1.3250 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.2005 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 -0.1438 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3341 0.7011 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6668 1.3764 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 2.7558 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 1.1033 2.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 2.5517 1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 2.6244 4.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 3.9950 3.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 3.7682 3.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9861 3.8865 5.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 2.1594 5.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 1.2639 4.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 0.9722 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 0.3166 7.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.8381 7.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 1.5510 8.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.2396 8.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 -1.9822 8.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5236 -2.5564 6.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -1.4868 6.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -4.0502 8.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 -4.5128 8.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 -1.7600 7.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -3.2994 7.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -1.7345 9.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3273 -3.4115 9.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2194 -2.7068 10.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6864 -1.8802 11.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 -0.6244 9.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9747 0.2276 10.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -0.3529 12.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -1.3323 11.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 0.4501 11.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 3.3680 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1513 3.4244 -2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 6.5295 -4.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 4.8302 -4.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 7.5005 -3.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1002 6.2707 -4.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5067 7.6104 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 6.2871 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1742 7.0147 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 5.5381 -2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 4.1627 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7302 4.2638 -3.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 5.4971 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 4.2192 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 4.2651 -0.6986 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 5 7 1 0 7 8 1 0 8 9 2 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 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 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END