HMDB0067804 RDKit 3D TG(22:0/20:0/13:0) 176175 0 0 0 0 0 0 0 0999 V2000 -4.1177 4.7729 -2.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 4.6303 -2.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 4.1018 -4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 3.9233 -4.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 3.4344 -6.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 4.2249 -7.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 4.4854 -7.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4714 3.2337 -7.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 2.5035 -8.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8551 1.3113 -9.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9343 0.1302 -8.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 -0.4128 -7.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 -1.7508 -7.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -1.9279 -6.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4228 -3.4266 -5.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 -3.7800 -5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -3.2516 -3.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -3.3412 -3.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -2.3597 -3.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 -0.9335 -3.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.8577 -2.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 0.4348 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 1.2987 -2.5149 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9631 0.7027 -0.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5898 1.8310 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7326 1.5606 1.7011 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6845 2.5789 2.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 3.8156 2.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 3.7384 3.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 2.5861 4.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 4.7868 4.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 4.1429 4.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8036 3.3572 3.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 4.3050 3.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 5.1725 3.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 4.2670 4.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 4.8775 5.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 5.9468 4.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5091 6.3566 5.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 7.4275 5.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 7.6924 6.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4080 8.7693 5.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4044 0.2548 1.7578 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.7105 2.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 -0.3264 3.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2481 -2.0954 2.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 -2.8636 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 -3.0188 3.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 -3.8047 1.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -5.2560 1.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 -5.8964 3.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 -5.7714 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -6.3673 3.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -6.3699 3.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -6.9787 2.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -6.3324 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 -4.9255 1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9588 -4.3648 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -4.1012 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 -3.0379 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -1.7247 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 -0.5456 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 -0.7319 1.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.8997 2.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 3.9311 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0118 4.5379 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 5.7693 -2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 3.9774 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 5.6339 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5102 4.8762 -4.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5156 3.1709 -4.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 3.1756 -4.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 4.8431 -4.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 3.2346 -6.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9723 2.3629 -6.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 5.2600 -7.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 3.7947 -8.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 5.2691 -6.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 4.9296 -8.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5133 3.5900 -7.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 2.5935 -6.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 2.3210 -8.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 3.2618 -9.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9337 1.6030 -9.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 0.9192 -10.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4866 -0.6827 -8.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5052 0.3647 -7.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 0.3694 -7.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.4101 -8.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 -2.0061 -7.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9067 -2.5007 -8.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2728 -1.2708 -5.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -1.7851 -6.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1123 -3.4932 -4.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 -4.0152 -6.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -4.9325 -5.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -3.5905 -6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 -3.7441 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 -2.1847 -3.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0096 -4.3676 -3.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 -3.3833 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -2.4500 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 -2.4714 -3.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -0.1657 -3.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 -0.6784 -4.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 -0.8187 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -1.6332 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 1.8672 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1239 2.7938 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 1.5959 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 2.2162 3.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5046 2.8246 1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 5.4939 3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 5.4190 4.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 3.4186 5.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 4.8821 5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 2.5983 4.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0934 2.8059 3.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1884 3.6421 2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 4.8953 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 5.9077 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0493 5.7428 4.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 3.4173 4.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 3.7702 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 5.3889 6.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 4.0763 5.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 5.6332 3.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 6.8864 4.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 6.6143 6.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 5.3962 5.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9116 8.3701 4.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0318 7.0265 4.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8377 7.9317 7.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9899 6.7351 6.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8532 9.6838 5.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 8.4110 5.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9882 9.0510 6.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -2.0519 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -2.5703 1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 -2.2646 4.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 -3.8389 3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 -3.4991 3.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -2.0297 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -3.3856 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -3.6448 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 -5.2619 2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 -5.8573 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6432 -5.4363 3.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 -6.9649 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 -4.7619 2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 -6.4202 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -5.9603 4.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 -7.4538 3.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -6.9445 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -5.3353 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 -7.0537 3.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9037 -8.0937 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9218 -6.9799 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 -6.3610 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 -4.2880 2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 -5.0166 1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5742 -3.4466 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5327 -5.1563 -0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 -5.0377 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -3.7210 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 -3.2704 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -2.8944 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 -1.5458 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4605 -1.8562 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 0.3306 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.2910 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 0.1276 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 -1.6289 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4992 -0.7101 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -1.9274 3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 -0.1672 3.6369 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 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 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 1 0 28 29 1 0 29 30 2 0 29 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 26 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 9 83 1 0 10 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 20104 1 0 20105 1 0 21106 1 0 21107 1 0 25108 1 0 25109 1 0 26110 1 1 27111 1 0 27112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 42137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 54154 1 0 54155 1 0 55156 1 0 55157 1 0 56158 1 0 56159 1 0 57160 1 0 57161 1 0 58162 1 0 58163 1 0 59164 1 0 59165 1 0 60166 1 0 60167 1 0 61168 1 0 61169 1 0 62170 1 0 62171 1 0 63172 1 0 63173 1 0 64174 1 0 64175 1 0 64176 1 0 M END