HMDB0042069 RDKit 3D TG(14:0/14:0/16:1(9Z)) 141140 0 0 0 0 0 0 0 0999 V2000 3.6624 -5.4991 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -5.4747 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -4.1476 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -4.0266 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 -2.6537 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 -2.3373 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8528 -0.9600 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 0.0727 -1.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 -0.0491 -3.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2541 0.3223 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.8042 -3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 2.2409 -4.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2383 3.6256 -3.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 4.7849 -4.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 5.0120 -3.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3672 5.1913 -2.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 5.8512 -1.7407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 4.7007 -1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 4.9767 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 4.1523 1.1377 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4787 4.2173 2.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 3.2629 3.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 1.9070 3.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 1.5236 2.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 0.8827 4.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 -0.4619 4.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -0.4867 4.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2201 -0.2770 5.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0043 -1.2629 6.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -1.6032 7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 -0.5019 7.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -0.5565 8.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 -0.9150 7.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.1733 7.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -3.3121 6.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -3.9510 7.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 -5.0725 7.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 4.3982 0.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 3.6022 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 2.5165 -0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 3.8304 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 2.9372 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 3.0989 -1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 2.1431 -2.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 2.1228 -2.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 1.2950 -4.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -0.1515 -4.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 -0.8866 -4.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 -0.7515 -4.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 0.5557 -5.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 0.3359 -6.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 1.6542 -6.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 1.5159 -7.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 -5.6000 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 -4.6437 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 -6.4069 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -6.2759 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -5.5377 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -3.2714 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.9991 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -4.8234 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4905 -4.1700 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 -2.6556 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 -1.8607 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -3.0775 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -2.4490 -2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 -0.7464 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 1.0549 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 -0.9747 -3.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 0.7526 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0889 -0.3399 -3.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 0.2476 -4.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 1.9985 -2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6818 2.3082 -3.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 1.5198 -3.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7218 2.0364 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 3.7726 -4.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5285 3.7439 -2.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 5.7367 -4.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 4.7128 -5.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 4.3364 -3.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 6.0300 -3.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 6.0508 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 4.6265 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 3.0994 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 5.2444 2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 3.9774 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 1.1965 5.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 0.7162 3.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 -0.6076 2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 -1.2846 4.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0539 -1.5221 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1743 0.2235 3.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3511 -0.1651 5.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9286 0.7748 5.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 -2.2712 6.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -1.0249 7.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 -2.3754 8.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 -2.2150 6.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 0.4841 7.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.2210 8.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 0.5427 8.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5798 -1.0735 9.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 -0.3570 6.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 -0.2097 7.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 -2.5187 8.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -1.9663 6.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 -4.1371 6.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -3.1338 5.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -3.2485 8.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 -4.4570 8.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -5.8108 8.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -4.7295 7.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -5.6079 6.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 3.5534 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 4.9114 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 3.1278 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 1.8885 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 4.1358 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2482 2.7314 -0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 1.1700 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 2.5769 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 1.8323 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 3.2045 -3.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 1.8166 -5.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 1.4818 -4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -0.5365 -3.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 -0.5168 -5.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 -0.9206 -2.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 -2.0151 -4.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -1.4610 -4.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -1.2413 -5.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 0.8525 -4.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 1.3723 -5.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 0.0340 -7.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -0.4564 -5.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 2.4138 -6.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 2.0509 -5.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 1.5103 -8.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 0.6773 -7.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 2.4412 -7.2730 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 2 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 19 83 1 0 19 84 1 0 20 85 1 6 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 37114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 53141 1 0 M END