HMDB0300501 RDKit 3D DG(18:1(12Z)-O(9S,10R)/0:0/i-22:0) 129129 0 0 0 0 0 0 0 0999 V2000 18.2803 -1.1409 -1.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2754 -0.9844 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8639 -0.9974 -1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9323 -0.8150 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4729 -0.8239 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 -0.6183 0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7105 0.4109 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6026 1.4410 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3302 1.6952 -1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8768 0.4484 -1.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0068 1.3134 -0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 0.6828 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2529 1.5900 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6484 2.9251 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 2.8567 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 4.2386 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2633 4.3836 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 3.9284 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 2.4628 1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 1.7852 0.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 1.7857 2.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 0.4710 2.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -0.3399 1.9618 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3453 0.1611 2.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8143 -0.6901 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 -1.6971 0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -1.5209 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.4534 0.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 -2.6640 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1914 -2.2342 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2278 -1.2539 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1122 -1.7398 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 -2.9501 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -3.5261 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5418 -4.7059 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3849 -4.7079 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5538 -3.8941 -1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 -2.4533 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2198 -1.4940 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9921 -1.7265 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5654 -0.7458 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7482 0.6668 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0547 1.2780 1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0020 0.8041 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2236 1.7824 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1881 1.2731 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3908 2.1946 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9501 3.5855 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4755 1.7218 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3739 -0.1593 -2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2391 -1.4514 -1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8381 -1.8805 -2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4553 0.0039 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3964 -1.7810 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 -1.9422 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7104 -0.0943 -1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0802 -1.6281 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1548 0.1252 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3075 -0.2253 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3311 -1.8955 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5576 -1.3466 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1261 0.4152 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8389 2.4295 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4402 1.4330 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5492 2.4258 -1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 1.8085 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6159 -0.3427 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 0.5137 -0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2644 1.6424 1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 1.1305 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 3.4821 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1578 3.5502 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6181 2.4538 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 2.1924 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 4.9005 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2827 4.6849 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0936 5.4804 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 3.8977 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 4.3206 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 4.4236 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.1194 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 0.4347 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -1.3651 2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 1.0874 2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 -0.8490 0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5006 0.2264 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -3.1096 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 -3.4911 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.7205 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -3.1164 -2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -0.2456 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 -1.1826 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5897 -1.8877 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8592 -0.9326 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1063 -3.7403 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4348 -2.6359 -1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -2.7892 1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0322 -3.9664 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8485 -5.6203 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2216 -5.0028 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 -4.7025 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7481 -5.8193 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3334 -4.2275 -0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0956 -4.3699 -2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7460 -2.2009 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1718 -2.1041 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -1.2674 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6620 -0.4707 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0551 -1.7133 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6927 -2.7747 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4761 -0.9533 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0854 -1.0009 2.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2429 1.2665 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0470 0.9367 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6224 1.3073 2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8641 2.3833 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6716 0.8238 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5182 -0.1716 0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8913 2.8106 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6631 1.6554 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7121 1.2155 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5203 0.2536 -0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7855 2.1092 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0268 3.5272 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7188 4.2028 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6673 4.1558 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1102 1.6825 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3176 2.4464 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8940 0.7495 -1.2939 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 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 46 47 1 0 47 48 1 0 47 49 1 0 11 9 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 8 64 1 0 9 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 1 24 84 1 0 25 85 1 0 25 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 49129 1 0 M END