HMDB0296131 RDKit 3D DG(19:0/18:1(12Z)-2OH(9,10)/0:0) 123122 0 0 0 0 0 0 0 0999 V2000 -17.6420 -1.2488 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4216 -1.7198 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1463 -1.4060 -1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9412 -1.9650 -1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5629 -1.4887 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2932 -0.0313 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1296 0.4327 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9357 -0.2915 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7813 0.0069 0.0203 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0353 -0.3682 -1.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4732 -0.5943 0.4532 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5065 -0.0706 -0.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1817 -0.3154 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9014 -0.8620 2.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6647 -0.3622 1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -0.9783 2.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1502 -0.5074 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 0.9650 1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 1.4070 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 1.0700 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 0.3740 -0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4432 1.5364 -0.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 1.2604 -2.2916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4950 2.5931 -3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 3.5800 -2.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 0.8525 -2.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 1.8151 -2.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 2.3267 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 1.8753 -0.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5612 3.3737 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 2.7143 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 1.7920 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3941 1.2343 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 0.4874 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1398 -0.1721 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3731 0.5853 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6299 1.2714 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9862 1.9820 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1362 1.0618 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2236 0.0165 1.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4192 -0.9113 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3784 -1.6376 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4297 -2.6113 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8270 -2.2526 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5730 -1.6091 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0547 -1.4147 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6988 -2.7382 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7587 -0.9574 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1175 -0.3361 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5789 -2.0670 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6312 -2.8458 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2720 -1.3438 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0403 -0.2921 -2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1801 -1.8123 -2.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0549 -1.8967 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0930 -3.0963 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3171 -1.7664 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6321 -2.0382 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1041 0.6661 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0327 1.5372 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0024 -1.3491 1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6530 0.1723 1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6097 1.1140 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4101 0.0969 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4440 -1.7036 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2855 -0.6733 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2537 0.7674 2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0017 -0.8202 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9408 -1.9754 2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8215 -0.5226 3.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6049 0.7377 1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6577 -0.7879 0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4068 -0.7398 3.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4585 -2.0814 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 -0.9253 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -0.9496 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1325 1.3795 2.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 1.4359 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 0.8608 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 2.4844 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 0.5725 -2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 2.4349 -4.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 2.9159 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9856 4.1299 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 0.6710 -3.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.1548 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 3.9425 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 4.0566 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 3.4345 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1061 2.0497 -1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 0.9599 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 2.3103 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 0.7189 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9776 2.2014 0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 -0.2470 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8468 1.1763 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1243 -0.9989 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2928 -0.8207 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4348 1.3513 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -0.1147 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6737 0.5516 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 2.0520 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9285 2.7997 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1152 2.4411 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0636 1.6896 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1283 0.6312 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3252 0.4788 2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3084 -0.6443 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 -0.3093 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 -1.6734 2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3437 -0.8709 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3910 -2.2119 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3730 -3.4370 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0279 -3.1787 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9068 -1.6190 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4350 -3.1662 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5796 -2.1365 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2339 -0.5444 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5473 -0.9740 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 -0.7266 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 -2.5959 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4308 -2.9682 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3310 -3.5062 0.6233 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 9 11 1 0 11 12 1 0 11 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 6 10 64 1 0 11 65 1 1 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 23 81 1 6 24 82 1 0 24 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 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 47123 1 0 M END