HMDB0286264 RDKit 3D PC(18:1(12Z)-O(9S,10R)/18:0) 139139 0 0 0 0 0 0 0 0999 V2000 2.3523 2.0341 -4.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 3.4111 -4.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 4.3073 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 4.5688 -3.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 5.5975 -2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 5.9759 -2.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2235 5.9306 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8964 5.5117 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8222 4.4570 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 4.0660 2.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 3.0713 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 1.9747 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 0.6274 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9003 -0.1952 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7405 -0.5402 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3632 0.4972 -1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 1.0845 -1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -0.0272 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 0.4693 -1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 1.6931 -0.9192 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.4198 -0.9186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 -0.1044 -0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 0.6247 0.6320 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3133 -0.1907 1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -0.5624 1.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 -1.4936 2.7025 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1258 -1.2128 2.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3806 -3.1460 2.3596 O 0 0 0 0 0 1 0 0 0 0 0 0 0.9121 -1.1995 4.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8895 -1.1632 5.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -0.9104 6.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 -0.8455 7.6488 N 0 0 0 0 0 4 0 0 0 0 0 0 3.3858 -1.3288 7.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 0.5627 8.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 -1.5434 8.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 0.9925 0.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 2.2939 0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 3.1461 0.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9626 2.7972 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8809 3.1830 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 2.1712 -0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5367 1.3394 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4637 0.4456 -2.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7838 -0.5017 -3.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8606 -1.4944 -2.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 -2.4888 -1.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6581 -1.9776 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 -3.0736 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -4.1161 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -5.1675 1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8201 -5.8541 1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7236 -6.5857 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1064 -7.1979 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1564 -7.9685 -1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1938 -9.1123 -1.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 1.9977 -4.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 1.3744 -3.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 1.6356 -5.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 3.9192 -5.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 3.2987 -4.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0692 3.9019 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 5.3087 -3.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 5.0875 -4.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 3.7155 -3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 5.2901 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 6.5059 -2.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8864 6.3335 -3.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2902 6.2696 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0232 6.3939 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8616 5.0969 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 4.5224 0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 2.8370 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2818 2.2986 1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 1.9387 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 0.6736 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 -0.0042 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9306 0.1795 1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 -1.1987 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 -1.4563 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7615 -0.9307 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -0.0370 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 1.2971 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 1.7846 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 1.6469 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 -0.8335 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -0.5281 -2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 0.5468 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 -1.0823 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 1.5633 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -1.1258 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3636 0.3684 2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 -2.1507 5.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -0.3180 4.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 -0.0588 6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 -1.8069 6.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -0.7226 6.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -2.3734 7.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -1.2533 8.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0356 1.0550 7.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 1.1399 7.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 0.7196 9.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 -1.2745 8.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -1.2051 9.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -2.6365 8.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 3.6147 2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 1.9744 1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7813 3.7594 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3598 4.0276 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 2.6310 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0759 1.4658 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9559 1.9571 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 0.6631 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0046 1.2193 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2732 0.0059 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5673 -1.0321 -4.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 0.0878 -4.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9844 -0.8800 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -2.0335 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1687 -3.0909 -2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 -3.2270 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3458 -1.1486 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 -1.5600 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2587 -2.5578 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0987 -3.4597 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 -4.5748 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1986 -3.6394 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7574 -5.8743 1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8202 -4.6292 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6678 -5.1386 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0629 -6.6151 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -5.9700 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -7.4378 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3799 -7.8519 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8903 -6.4110 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -7.3169 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1950 -8.3753 -1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -9.7241 -2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1488 -8.8002 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2826 -9.8079 -0.8405 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 1 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 1 0 19 20 2 0 19 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 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 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 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 11 9 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 7 68 1 0 8 69 1 0 8 70 1 0 9 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 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M CHG 2 28 -1 32 1 M END