HMDB0284914 RDKit 3D PE(DiMe(13,5)/18:1(12Z)-O(9S,10R)) 143144 0 0 0 0 0 0 0 0999 V2000 17.6791 1.2881 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8899 0.0659 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3213 0.4258 2.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5039 -0.6303 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2652 -1.0396 2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3954 0.1298 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9624 0.6429 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2918 0.1015 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9905 -0.3130 -1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2724 -1.2712 -0.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9132 -1.6407 -1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9927 -2.2119 -2.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5368 -2.2352 -2.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 -0.9048 -2.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -0.9869 -1.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -1.7851 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -1.2086 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 0.1773 0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 0.3949 1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 0.4087 2.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8012 0.5973 0.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 0.8092 0.7450 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6170 -0.3571 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 -0.1010 0.7965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 -0.8299 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -1.8741 -0.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 -0.4346 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 0.0788 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4439 -0.8908 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 -2.1143 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -1.7249 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3555 -0.9798 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5615 -0.5635 0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -1.7027 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4574 -1.1689 2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3906 -0.3281 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0248 -1.0989 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9578 -0.3417 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0680 0.2656 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2726 -0.2910 0.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0725 0.4416 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4969 0.1899 1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4198 1.0594 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8405 0.8216 0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2287 -0.6164 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6870 -0.7503 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3784 1.5784 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8815 2.6890 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1195 1.4409 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0354 2.4420 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 2.0556 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 2.0370 -1.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1152 3.3964 -1.8227 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1179 4.5446 -1.7782 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7101 3.8621 -1.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 3.0867 -3.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 2.2463 -4.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4105 1.9968 -5.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 1.3694 -5.5854 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 1.4780 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0007 2.1573 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1370 1.0873 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1984 -0.2742 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6688 -0.7502 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1950 0.6316 3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7727 1.4033 2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2518 -0.2545 4.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1788 -1.4972 3.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7862 -1.8385 2.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5993 -1.5367 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0947 0.6039 3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3184 1.5253 1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7072 0.9236 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0064 -0.7202 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4522 0.4937 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8548 -2.2630 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3183 -3.2670 -2.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 -1.6375 -3.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 -2.9042 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9867 -2.8182 -3.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0676 -0.2876 -3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3996 -0.3737 -1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0478 0.0338 -1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 -1.5256 -2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4638 -2.8089 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 -1.8683 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 -1.8747 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7684 -1.3337 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 0.5737 1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 0.8134 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4698 0.8035 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -1.3317 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -0.3170 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 -1.2627 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 0.3781 2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 0.9442 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 0.5790 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 -0.3961 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -1.2199 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -2.7129 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -2.7498 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 -1.0856 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8302 -2.6184 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -1.5573 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9266 -0.0222 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2315 0.1639 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2317 -0.0402 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6594 -2.3805 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6645 -2.3655 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9766 -0.4679 2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9906 -1.9804 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1771 0.0358 1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8383 0.5809 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6424 -1.9055 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2803 -1.6772 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3134 -1.0573 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4461 0.4816 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6399 0.3194 2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6715 -0.8942 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3149 0.7567 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1279 2.1198 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5416 1.5151 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9406 0.9881 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1008 -0.8770 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6160 -1.2940 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6894 -0.7950 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1916 0.2074 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1798 -1.6206 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3420 3.5067 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5579 2.3297 2.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0247 3.1859 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5151 3.4401 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5855 2.4501 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2596 2.3297 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 2.9921 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 2.0221 0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 3.5967 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 1.2435 -3.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 2.5815 -3.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 2.9091 -6.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 1.2422 -5.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 0.7712 -4.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 2.0461 -5.7346 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 2 0 25 27 1 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 43 44 1 0 44 45 1 0 45 46 1 0 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 22 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 11 9 1 0 49 39 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 1 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 48129 1 0 48130 1 0 48131 1 0 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 55137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 M END