HMDB0263628 RDKit 3D PA(18:2(10E,12Z)+=O(9)/18:0) 120119 0 0 0 0 0 0 0 0999 V2000 12.9299 1.3798 -2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7622 2.4353 -1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5023 2.7771 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6908 1.7698 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8582 0.5202 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0822 -0.3944 1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1980 -0.8116 2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8152 -0.3992 2.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8884 -0.8054 3.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 -0.3501 3.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -0.7517 4.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0964 0.5677 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6149 0.7431 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8732 -0.5191 1.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 -0.2715 1.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 0.2939 3.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4373 0.5643 3.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -0.5821 3.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 -1.3822 2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 -2.6162 2.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 -0.7895 0.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1965 -1.5755 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -0.6669 -1.5102 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7618 0.5199 -1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 1.4424 -2.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 2.7630 -2.5326 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1702 2.7508 -3.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 2.7709 -1.2656 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 4.1769 -2.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 -0.2089 -1.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -0.4874 -2.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -1.1257 -3.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.0799 -2.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 -1.1298 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8685 -2.4287 -2.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3528 -2.4134 -3.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6903 -1.9425 -3.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9056 -2.6138 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1933 -2.6018 -1.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4818 -3.3379 -1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 -2.8317 -2.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1332 -1.4490 -2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4488 -1.0675 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8921 0.4018 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2393 0.8512 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6779 2.2681 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0053 2.8773 2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0888 2.3000 2.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9007 0.9020 3.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6183 1.7648 -3.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9334 1.2159 -1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4486 0.4343 -2.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6006 3.3979 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 2.2217 -1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 3.6461 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4941 3.2551 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3462 2.2452 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7603 1.5260 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1475 -0.0374 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7950 0.7133 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1180 -0.7446 1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4819 -1.4841 3.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4615 0.2787 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1491 -1.4648 4.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5929 1.5663 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 0.1573 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3469 1.1356 3.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2754 1.5119 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -1.3268 2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -0.9438 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 -1.2355 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 0.4853 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3967 1.3016 3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -0.3738 4.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 1.3253 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2974 1.1230 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 -0.1303 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 -1.2360 4.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 -2.4125 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -1.9102 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 -1.1999 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 1.0484 -0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 0.2075 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 3.1767 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 4.4502 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3196 0.3427 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 0.7773 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -0.6951 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -1.2904 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2095 -3.2194 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7327 -2.7043 -2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -3.5125 -3.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 -1.9643 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 -2.0403 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7669 -0.8127 -3.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7955 -2.0823 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8776 -3.6658 -3.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4102 -3.1679 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -1.5764 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 -3.3608 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3301 -4.3948 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5416 -3.5121 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6318 -3.0175 -3.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0904 -1.2994 -2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4434 -0.6966 -2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3128 -1.6282 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6225 -1.1865 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0695 1.0535 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7555 0.5490 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3981 0.6396 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0755 0.1425 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5506 2.4312 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8330 2.8813 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1990 3.9890 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0771 2.9194 2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2120 2.9559 3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0685 2.4390 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5422 0.1810 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1926 0.8350 4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8542 0.5603 3.3059 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 2 0 9 10 1 0 10 11 2 0 10 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 23 30 1 0 30 31 1 0 31 32 2 0 31 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 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 12 65 1 0 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 22 79 1 0 22 80 1 0 23 81 1 6 24 82 1 0 24 83 1 0 28 84 1 0 29 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 49120 1 0 M END