HMDB0009320 RDKit 3D PE(20:3(5Z,8Z,11Z)/16:1(9Z)) 125124 0 0 0 0 0 0 0 0999 V2000 -8.8385 4.4507 3.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4674 5.5331 3.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0378 4.9289 1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0049 4.2398 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7018 3.6772 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6926 2.9464 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4659 2.4405 -2.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5361 1.1752 -2.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8784 0.0877 -1.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9546 -0.7197 -2.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7867 0.0066 -3.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8982 0.4731 -2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6686 1.2221 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7922 0.3940 -3.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -0.8662 -3.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 -0.6946 -1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1064 0.4450 -1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -1.7682 -1.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2204 -1.8114 0.0295 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0342 -2.7156 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6902 -2.8009 1.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -1.8145 1.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -0.6555 1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 -2.0969 3.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 -3.4910 3.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 -4.0595 2.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 -4.0610 0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -3.4619 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 -2.6918 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2338 -1.2673 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 -0.8171 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2197 -1.6416 -1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6114 -1.4669 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2888 -0.6434 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7023 0.4261 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2409 1.7902 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7178 1.8684 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2116 3.2152 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 3.5585 -1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4985 4.8918 -2.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 6.0108 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6086 7.3441 -1.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -2.3273 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -3.5776 0.8699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5957 -4.2026 2.0731 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0556 -4.1770 1.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 -3.2816 3.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1507 -5.8057 2.3703 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 -6.6719 1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 -8.0690 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 -8.3584 3.1224 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0781 3.4454 3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7283 4.5307 3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1416 4.5659 4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7461 6.3365 2.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3312 5.9771 3.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8357 4.2056 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5151 5.7296 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4863 3.4676 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2791 5.0466 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4592 2.9615 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2264 4.4810 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2263 2.2154 -0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0007 3.7505 -1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0185 3.1828 -3.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1440 0.8561 -3.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7132 -0.6364 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4202 0.3463 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5114 -1.2098 -3.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6269 -1.6002 -2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2416 -0.6142 -4.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1233 0.9005 -3.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -0.3854 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 1.1482 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 1.5144 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9737 2.1305 -3.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 1.0438 -3.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 0.2400 -4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -1.3647 -3.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 -1.5536 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -0.7565 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 -2.4295 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -3.7513 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -1.8338 3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 -1.3446 3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -3.5468 4.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 -4.1409 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 -5.1992 2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 -3.8278 2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -4.6448 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 -3.5707 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 -2.5763 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -3.2265 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 -0.5795 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 0.2568 -1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 -1.4488 -2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9277 -2.7515 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2764 -2.2231 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4208 -0.7371 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 0.2660 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 0.4947 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9010 1.9039 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 2.5369 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9633 1.7984 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2749 1.0512 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8112 4.0246 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3308 3.2506 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2551 2.7453 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8093 3.6387 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1705 5.1032 -3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6114 4.8457 -2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8742 6.1491 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1218 5.8807 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0217 7.7645 -2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6381 7.0692 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5866 7.9887 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -1.6342 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 -2.3322 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 -3.4821 3.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0903 -6.4336 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6945 -6.6578 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0364 -8.0584 1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4903 -8.7807 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6097 -7.4873 3.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 -9.1346 3.5775 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 1 0 7 8 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 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 19 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 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 19 81 1 1 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 47119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 M END