HMDB0044253 RDKit 3D TG(16:0/18:2(9Z,12Z)/24:0) 181180 0 0 0 0 0 0 0 0999 V2000 -8.1181 -2.2615 -4.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4855 -2.9155 -4.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3831 -4.3996 -3.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 -4.7246 -2.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5663 -6.2462 -2.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9477 -6.5494 -1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8458 -7.1987 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9757 -7.7790 -1.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6459 -7.1772 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 -6.5064 -2.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5382 -6.2128 -4.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6527 -4.7693 -4.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 -3.8900 -4.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 -3.9728 -5.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 -5.2452 -5.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 -5.3213 -5.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 -4.3540 -5.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1427 -4.4076 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4738 -5.0898 -3.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -3.7286 -3.6161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4584 -3.8623 -2.2385 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8410 -4.3662 -1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -4.4631 -0.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 -5.3634 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 -6.1485 -0.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -5.4142 1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -4.0021 2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 -3.8538 3.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -4.5686 4.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 -4.3062 5.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -4.9627 6.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -4.7267 7.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 -3.4131 8.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 -2.2075 7.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -0.9622 8.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 0.2095 8.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 0.0002 8.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 1.1070 8.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 2.3991 9.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 3.5344 8.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -2.4371 -1.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 -1.6750 -2.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -0.3562 -1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 0.1739 -0.9872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 0.4001 -2.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 1.5264 -3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 2.6211 -2.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 3.5596 -1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 3.0710 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 4.0958 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 5.2059 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 6.1782 1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 7.3668 2.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 7.2604 2.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 6.7845 2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 7.6936 0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 7.1257 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 6.9156 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 6.3963 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 7.2063 -0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 7.7194 -2.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6855 6.7039 -3.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 5.7442 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 4.7020 -4.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2524 5.3592 -5.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5661 4.3367 -6.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 3.5133 -5.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1218 -1.3067 -4.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6869 -2.1015 -3.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4063 -2.9283 -4.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0055 -2.5198 -3.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0579 -2.6149 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8665 -4.8558 -4.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4235 -4.7991 -3.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6518 -4.2923 -2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1800 -4.2641 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0711 -6.6548 -3.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6274 -6.6278 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5011 -6.1658 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5024 -7.3483 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4919 -7.7180 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8464 -8.8654 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1519 -7.3395 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 -6.1231 -2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5775 -6.6654 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9471 -6.7523 -4.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 -4.7177 -5.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5094 -4.3680 -3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -2.8004 -4.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 -3.8968 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -3.7027 -6.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -3.1261 -4.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5682 -5.6650 -4.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 -5.9886 -5.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 -5.1061 -7.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 -6.3864 -5.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -3.3335 -5.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 -4.6362 -6.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 -4.4262 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6086 -3.6036 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -5.2976 -2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 -5.9570 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 -5.9815 2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 -3.5257 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -3.4465 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 -4.3315 4.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 -2.7844 3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -4.1382 3.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -5.6473 3.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -3.2594 5.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -4.8152 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9516 -4.8519 5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -6.0888 6.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 -5.4757 7.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 -5.0669 8.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -3.5316 9.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9403 -3.1791 7.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -2.4059 8.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0733 -1.9662 6.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 -0.7903 8.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -1.0967 9.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 0.1739 7.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 1.1746 8.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -0.1350 9.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 -0.9336 8.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 1.1127 7.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5223 0.8843 9.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 2.6784 8.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 2.3120 10.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 3.0725 8.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 4.3381 8.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 3.9498 9.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7255 -2.6265 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -1.9879 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6308 0.6602 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2857 -0.3087 -3.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 2.0111 -3.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7573 1.1067 -4.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 3.2908 -3.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 2.2817 -2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 4.0938 -2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 4.4348 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1677 2.1979 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 2.6247 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 4.4965 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3094 3.5818 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 4.6387 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 5.6271 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 5.5736 2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 6.5127 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5396 7.8889 3.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8891 8.1797 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 6.6265 3.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 8.2496 3.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 5.7526 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 6.8553 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 7.7696 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 8.6989 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 7.6942 -0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 6.0934 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 7.9369 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 6.3393 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 6.0284 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 5.4198 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 8.0803 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 6.5661 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 8.6444 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 8.1296 -2.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 7.2798 -3.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 6.1013 -2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 6.3597 -4.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2411 5.2668 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 4.0494 -4.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 4.1065 -3.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 5.9926 -6.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 6.0185 -5.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 4.8678 -7.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.6434 -6.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 4.2351 -5.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1998 3.0742 -6.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 2.7728 -5.0515 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 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 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 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 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 1 22100 1 0 22101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 48141 1 0 48142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 67181 1 0 M END