HMDB0013429 RDKit 3D PC(O-18:1(9Z)/18:2(9Z,12Z)) 137136 0 0 0 0 0 0 0 0999 V2000 3.7629 2.1832 5.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 2.5468 5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8236 1.4327 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 0.7178 3.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 -0.0822 3.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -1.1921 4.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 -2.4515 4.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -3.0184 2.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -3.8140 2.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -4.0817 3.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 -3.6384 4.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 -3.0453 5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 -1.9428 4.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 -0.6606 4.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 0.2965 3.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 1.6109 3.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 2.6357 2.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 2.2967 0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 1.1955 0.6003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 3.0832 -0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 2.6546 -1.3828 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0710 3.4940 -2.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2104 3.4211 -1.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 4.0763 -2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 4.0567 -1.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0226 2.6792 -1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 1.8483 -2.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 0.4487 -2.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -0.2920 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -0.4634 -1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -1.2003 -3.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4279 -1.2303 -2.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.3224 -2.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 -3.6547 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 -4.6196 -4.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 -5.0314 -4.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 -4.2039 -4.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -3.7308 -6.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 -2.7850 -6.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -1.3784 -6.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -0.6928 -6.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 2.4527 -1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 3.5832 -1.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5751 3.2598 -2.7436 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2945 2.1482 -3.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 4.6097 -3.6475 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.8048 2.7723 -1.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 1.6925 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 1.3285 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4854 0.1912 0.7430 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1428 0.2242 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6041 -1.0623 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4116 0.1840 1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 2.4857 5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 1.1655 6.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 2.8435 6.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0219 3.4495 4.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 2.9537 6.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 1.8596 4.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1463 0.6811 5.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1166 1.4233 2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0539 -0.0031 3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -0.4352 2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 0.5192 3.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 -0.9299 5.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -3.1823 5.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5454 -3.7472 2.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -2.2934 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 -4.2867 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 -4.7622 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 -4.5691 5.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0258 -2.9752 5.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 -2.6986 6.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -3.9262 5.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 -2.3213 3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6328 -1.7616 4.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 -0.8673 3.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 -0.2255 5.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -0.1774 2.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 0.3404 3.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 1.5310 2.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 2.0589 4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 2.8454 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 3.5974 2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 1.6268 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 4.5459 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 3.1430 -3.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 5.1266 -2.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 3.6704 -3.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 4.6255 -2.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4421 4.6644 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 2.1876 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 2.8005 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 2.3334 -3.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 1.8427 -3.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5897 0.5497 -2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -0.0974 -3.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -1.2799 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 0.2119 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 0.4971 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -1.0493 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 -0.5685 -3.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 -2.1823 -3.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1442 -0.2771 -2.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 -2.1911 -2.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 -4.1330 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 -3.7326 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -4.3152 -5.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 -5.5865 -3.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -5.9044 -5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -5.6711 -3.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5088 -4.9169 -4.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9536 -3.4197 -4.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 -4.6964 -6.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -3.4242 -6.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 -3.1067 -6.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 -2.6936 -7.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 -0.8119 -6.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -1.1862 -5.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9218 -0.2265 -7.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7485 -1.4058 -6.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 0.1346 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 2.1376 -3.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8326 1.6705 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2404 0.7803 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8133 2.0617 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1385 2.2039 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5881 0.9817 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0806 -0.6110 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3649 0.0357 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 1.1468 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7803 -1.7726 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 -1.5940 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4399 -0.8737 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4343 -0.1112 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4171 1.2143 2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0279 -0.4990 2.6438 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 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 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 1 22 86 1 0 22 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 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 41122 1 0 42123 1 0 42124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 51129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M CHG 2 46 -1 50 1 M END