HMDB0049234 RDKit 3D TG(18:1(11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 149148 0 0 0 0 0 0 0 0999 V2000 8.0701 7.3460 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 6.8497 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 7.6277 -1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 7.0587 -1.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6028 5.6365 -1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 5.1731 -3.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 4.2314 -3.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 3.5301 -3.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 2.0966 -3.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8933 1.4071 -1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8351 1.9432 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 1.8532 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5103 1.3486 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 0.7262 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 1.4212 -1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 2.8805 -1.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 3.4609 -2.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 3.3331 -1.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 2.8606 -0.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 3.7099 -2.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 3.6888 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 2.3800 -0.9420 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8885 1.4139 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6674 1.0006 -2.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 0.1099 -3.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 -0.4304 -4.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -0.1728 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -1.1372 -3.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 -2.5355 -3.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 -3.1311 -2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 -2.8921 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 -3.0758 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -3.0031 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 -3.0367 2.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -1.8597 2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 -1.3270 2.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -1.2259 3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -1.6706 4.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -2.6361 5.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 -2.0919 5.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1016 -1.3296 4.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5195 -0.9693 4.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2427 -0.1550 3.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 2.8139 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 2.5645 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 1.9044 1.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0821 2.9894 1.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2855 2.2615 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1897 0.8983 2.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 0.5745 3.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8123 -0.7527 3.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9890 -1.9416 3.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9781 -2.2488 2.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3326 -3.5588 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6989 -3.7050 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8395 -2.6167 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0283 -2.7939 -1.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5554 -2.9092 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 -3.0932 -3.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 7.3337 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6913 6.6263 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4895 8.3615 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0614 7.0207 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7727 5.7927 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1676 8.7323 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2953 7.7953 -2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 5.6151 -1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 5.0400 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 5.6335 -4.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2344 3.9155 -4.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6529 4.0291 -2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3137 3.6599 -3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1263 1.5503 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7857 0.2789 -2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.9994 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 1.4216 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 2.2911 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 1.3871 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 0.5406 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 -0.3176 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 1.2019 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 0.9751 -2.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 3.1091 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0678 3.4318 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 2.9283 -3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 4.5204 -2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 4.2535 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 4.3327 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9376 1.9063 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 1.9992 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5634 0.6002 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 -0.5824 -5.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 0.8003 -4.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 -1.1100 -3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -0.6398 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -2.9846 -4.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 -3.0789 -2.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -4.2865 -2.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6676 -3.0973 -3.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 -3.7105 -1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -1.9584 -1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 -4.1263 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 -2.4142 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 -3.8059 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 -2.0574 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 -3.9681 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 -3.2007 2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -2.0011 3.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0847 -1.0045 2.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 -0.9251 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -0.7988 2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 -0.7339 5.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -2.0666 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -3.4519 4.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -3.1596 6.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1257 -2.9930 5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5312 -1.5360 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.3334 3.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1391 -1.8846 3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 -0.3990 5.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0692 -1.9092 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 -0.3534 2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2031 0.9236 3.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3128 -0.4376 3.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 3.9742 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 3.4993 2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8562 2.8794 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0296 2.2551 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8304 0.1195 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5575 1.0098 3.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8797 1.3768 4.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3501 0.7580 2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7662 -0.6733 4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0014 -0.9567 4.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0402 -2.8376 3.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0009 -1.9577 2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9735 -2.3601 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0701 -1.4850 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2598 -4.4389 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9403 -4.7378 -0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9372 -2.6403 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6839 -1.6000 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4432 -3.6430 -2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2104 -1.8774 -2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3583 -3.8548 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0921 -2.0388 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0906 -2.3307 -3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3933 -4.0867 -3.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 -3.0049 -3.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 1 0 25 26 2 0 25 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 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 1 23 90 1 0 23 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 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 M END