HMDB0099197 RDKit 3D TG(14:0/8:0/16:0) 125124 0 0 0 0 0 0 0 0999 V2000 10.5131 -1.3903 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8477 -2.0501 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3319 -2.0644 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6838 -2.7231 1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1501 -2.7457 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 -3.4918 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 -3.6742 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 -4.4308 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 -4.0380 2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -2.6580 2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -2.4153 3.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 -3.3708 4.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 -3.2610 3.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 -1.8671 3.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -1.8380 2.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 -2.1780 1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -3.3523 1.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 -1.1808 0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 -1.5416 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 -0.3741 -1.6564 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5530 0.2601 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 1.0643 -0.1947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.6852 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 1.4320 -0.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 2.5662 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 2.8754 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 1.6930 2.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 1.9207 3.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 2.4823 2.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 3.8603 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 4.2624 2.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4016 3.3313 0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 3.8294 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 2.9898 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6869 1.5633 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3995 0.8000 -1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6582 -0.6286 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8224 0.5407 -1.6915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 0.8487 -2.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 0.2762 -3.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 1.8234 -2.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 2.2752 -4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 3.1397 -5.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 2.9575 -5.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 3.1872 -4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 2.9568 -5.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 3.8849 -6.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2185 -2.0950 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1198 -0.5505 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7796 -0.9840 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1247 -1.5227 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 -3.1048 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1360 -2.6817 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9717 -1.0485 0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9047 -2.1807 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 -3.7739 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 -1.6910 1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -3.1148 2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -4.4592 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 -2.8985 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3541 -4.2265 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8912 -2.6779 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 -5.5002 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 -4.6477 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -4.7448 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9727 -4.2278 2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4266 -1.9325 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -2.5112 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.3789 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 -2.5791 4.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 -4.4070 4.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -3.0352 5.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -3.5823 2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 -3.9501 4.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -1.0969 3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 -1.6271 4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 -2.6424 3.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -0.8914 2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -2.3688 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 -1.9606 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -0.7980 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8841 0.9336 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.5093 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 3.5503 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 2.0847 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 3.1166 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 3.7455 2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 1.1639 3.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 0.9033 1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 2.6048 4.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 0.9541 4.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 2.3082 3.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 1.7874 2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 4.5582 3.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 4.1528 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4647 4.2919 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 5.3006 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 3.2993 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 2.3385 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6379 4.8446 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3658 3.9964 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 2.9889 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4799 3.4338 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7617 1.0335 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3269 1.5404 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3693 1.2955 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7931 0.7951 -2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6541 -0.7102 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8962 -0.9512 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6217 -1.2499 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 2.6328 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 1.2550 -2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4351 1.3412 -4.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0486 2.8088 -4.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 4.2343 -4.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 3.2209 -6.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 3.7081 -6.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 1.9807 -6.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 2.7590 -3.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 4.3305 -4.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 1.8866 -5.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 3.1382 -4.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 4.3308 -6.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 3.2951 -7.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 4.7109 -6.3261 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 20 38 1 0 38 39 1 0 39 40 2 0 39 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 19 79 1 0 19 80 1 0 20 81 1 6 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 37110 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 47124 1 0 47125 1 0 M END