HMDB0011384 RDKit 3D PE(P-18:0/20:3(8Z,11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -12.8299 3.9542 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7276 2.8873 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2949 1.6771 1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3081 0.5645 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8247 0.0553 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9474 -0.4718 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0223 -1.6895 -0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0107 -2.7620 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5721 -3.3227 -1.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3783 -3.3471 -2.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0845 -2.8863 -1.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8921 -2.2553 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4685 -0.9827 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1704 -0.1333 -1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8033 0.3739 -1.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 1.3046 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0105 0.8870 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 2.0715 1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1315 2.5487 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 1.4898 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 1.3383 1.9057 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 0.6130 -0.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -0.3789 -0.0464 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3383 -0.1478 -0.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3356 -1.1479 -0.7536 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -1.2109 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 -0.8002 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 -0.2589 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 1.2091 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 1.7011 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6234 3.1300 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 3.5991 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5336 3.1516 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7681 3.2409 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9238 2.2887 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9694 0.8681 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 0.3667 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4190 0.3712 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1034 1.6635 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6014 1.5289 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2507 0.9026 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7529 0.8028 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9505 -0.0478 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 -1.7770 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 -2.1368 0.6834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -3.7363 0.4044 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6824 -3.8037 -0.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 -4.2951 1.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 -4.7775 0.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -5.1875 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 -6.1318 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 -6.5548 2.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7715 4.4978 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8071 3.3975 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6830 4.6293 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3511 2.6712 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8906 3.2458 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6332 2.0178 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1859 1.2983 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4189 0.9073 2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7397 -0.2799 2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0337 -0.6637 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3359 0.9180 -0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7799 0.2345 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9221 -1.9723 -1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2122 -2.4307 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4883 -3.6319 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4209 -3.7775 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3456 -3.8608 -3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4073 -3.8497 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6064 -2.3472 -2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0655 -2.8642 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4184 -0.7094 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8644 0.8065 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5936 -0.4996 -2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 0.8074 -2.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1312 -0.5709 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8655 2.2633 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 1.6460 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 0.0340 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 0.5946 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1975 2.8720 1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 1.6775 2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2432 3.0548 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 3.3780 1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 -0.2785 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 -0.2974 -2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 0.8492 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -1.6224 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 -0.8720 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 -0.3460 -1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9166 -0.8668 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7923 1.2981 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 1.7634 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 1.0227 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 1.6939 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 3.4913 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 3.7582 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 4.7736 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4481 3.6144 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6926 3.8224 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4617 2.0889 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 3.3248 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7443 4.2768 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9639 2.3709 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6782 2.6474 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9278 0.5810 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0574 0.2644 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8383 0.7553 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7127 -0.7441 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7112 -0.4093 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9099 -0.0720 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7252 2.0970 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9844 2.3087 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8176 1.0274 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9817 2.5733 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8407 -0.1283 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0394 1.4889 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1972 0.3791 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1261 1.8280 0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7891 -0.7542 -0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1696 0.6310 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0596 -0.6814 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 -2.4696 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6769 -1.8910 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -5.2792 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 -4.2855 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 -5.7327 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -6.9918 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 -5.6042 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2999 -5.7932 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -7.4501 2.3974 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 2 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 25 26 1 0 26 27 2 0 27 28 1 0 28 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 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 26 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 48126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 M END