HMDB0050327 RDKit 3D TG(20:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z)) 166165 0 0 0 0 0 0 0 0999 V2000 -5.0812 -0.5096 -5.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 -0.4625 -4.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 0.7987 -4.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5876 0.9216 -6.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7403 -0.0947 -6.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -0.4935 -6.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 -0.0075 -5.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 1.1763 -4.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5131 2.1638 -5.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 2.4435 -4.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 1.8340 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 1.1756 -2.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 1.5264 -1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 2.5841 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 1.9611 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 2.3853 1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0621 3.5199 2.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 3.2903 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 2.4410 1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1321 1.0161 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0030 0.3050 1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 0.2892 2.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 -1.1166 1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 -1.6439 2.4081 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4386 -1.1237 3.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 -1.1673 4.1833 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -2.1680 4.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 -3.3374 4.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 -1.7949 4.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 -1.4402 3.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.9593 3.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -0.5809 2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 0.0006 2.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 1.2496 3.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5329 1.9604 3.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 2.4976 2.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3234 3.5305 1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9964 3.1317 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 3.7462 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 4.9368 2.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9715 4.6220 3.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 5.8884 4.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 5.6521 5.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 6.9211 6.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 8.0504 5.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 7.6684 5.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7242 8.7913 4.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 -2.9767 2.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 -3.4617 1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 -2.6104 0.8533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2895 -4.9028 1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -5.5316 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 -5.3861 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 -4.1265 -1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -3.5153 -1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -4.5255 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 -3.8847 -1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 -4.6214 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -5.7533 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -6.8855 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1685 -7.5837 -2.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 -8.2207 -2.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 -9.2605 -1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1457 -9.9140 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6949 0.4086 -5.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7151 -1.3426 -4.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -0.7399 -6.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2261 -1.3644 -4.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1497 -0.4801 -3.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 1.6374 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 0.8962 -3.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6244 0.8847 -6.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 1.9548 -6.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.0454 -7.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 -1.0865 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 -1.4282 -6.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -0.5703 -5.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 1.7528 -5.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 0.9415 -3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 2.6203 -6.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 3.1782 -4.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 1.0283 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0109 2.6255 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 0.3994 -3.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2846 1.0166 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 3.2276 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 3.2865 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 1.0739 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 1.8441 2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1269 4.1980 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 4.1911 2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3681 2.8956 3.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 4.3347 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3703 2.5013 2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 2.9122 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 -1.1792 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8524 -1.5870 2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 -1.0905 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7957 -0.0803 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 -1.7279 4.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -0.9404 5.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -2.6662 5.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -0.7294 2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -2.3771 2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 -1.7588 4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 -0.0583 4.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 -1.5401 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 0.0363 1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 -0.7403 2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 0.2426 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 0.8848 4.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3465 1.7958 3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 2.8134 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2943 1.2561 3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2754 1.5996 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1303 2.8818 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3637 4.5216 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9068 3.7358 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 2.2458 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 3.3606 0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 5.4586 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 5.6833 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 3.7768 3.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 4.3440 3.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9003 6.2839 4.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 6.6669 3.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 5.2884 5.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 4.8215 6.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 7.2417 6.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 6.7655 7.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 8.3218 4.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 8.9349 6.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5047 7.4263 6.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 6.8045 4.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 8.3703 4.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 9.6032 5.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 9.1394 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 -5.2632 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -5.3567 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -6.6597 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 -5.2899 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 -6.2128 -1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -5.7252 -1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -3.3408 -1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8664 -4.4021 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -2.6494 -2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4361 -3.2245 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 -4.6430 -2.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 -5.4931 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -3.5172 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -2.9047 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -5.0024 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 -3.8919 -1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5043 -6.0962 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 -5.3434 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -6.6595 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -7.6868 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 -6.9503 -2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -8.4350 -1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 -7.4849 -3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9091 -8.7461 -3.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -10.0710 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 -8.8756 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -10.2773 -3.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4741 -10.7600 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -9.2306 -2.7919 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 2 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 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 2 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 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 47137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 64166 1 0 M END