HMDB0052705 RDKit 3D TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 6.9776 2.8849 4.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8744 3.2117 5.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.1393 5.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 2.3126 4.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 3.6358 4.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 4.0858 5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 4.3735 5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 4.3309 3.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 3.3634 3.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 2.2967 3.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 1.8680 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9013 1.8809 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 0.8513 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5512 -0.4911 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 -1.3841 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -2.8068 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 -3.2573 1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 -2.7943 1.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -3.1561 0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -1.9676 2.7822 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 -1.4030 2.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -2.3269 3.2990 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3581 -2.9830 4.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8048 -2.1553 5.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -2.1028 5.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -2.8573 5.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -1.2286 6.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -1.3754 7.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 -0.9885 5.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -1.1962 6.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8649 -0.7631 4.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2242 -1.0442 5.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4638 -0.6551 4.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5471 0.7936 4.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9492 1.3237 3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4383 0.8067 2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 1.2415 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2924 0.5239 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5641 -0.8899 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3368 -1.6836 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -3.1465 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 -3.9855 -1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0882 -5.4142 -1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6961 -1.4263 3.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -1.6271 2.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 -2.5905 1.6238 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 -0.7385 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4491 0.4585 1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9573 -0.0621 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 1.0251 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 0.5045 -2.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 -0.5325 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 -1.0915 -3.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.0953 -3.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4197 0.5753 -3.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 1.5180 -4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 2.5974 -4.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 3.5442 -5.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 3.7258 -6.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 3.0140 -7.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 2.2877 -8.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 0.9982 -8.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 0.0512 -7.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 -0.7357 -8.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 -1.4844 -9.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 -2.4592 -9.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -3.4713 -8.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 3.5640 4.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 3.0197 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 1.8440 4.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 3.1941 6.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 4.2166 4.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.1427 5.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 1.4524 4.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 4.4312 4.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 3.5284 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 4.1630 6.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 4.6961 5.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 4.2235 2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2806 5.3697 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 3.5758 4.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 1.6599 3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 2.6505 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 0.9128 2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 2.8819 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 0.9763 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 -0.8549 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -0.5407 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4526 -1.2807 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 -0.9610 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 -3.2184 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -3.3130 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 -4.3845 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 -2.9030 2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7797 -0.7739 2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2968 -0.7159 3.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -3.0227 2.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 -3.4483 4.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 -3.8623 4.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -0.1635 6.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 -1.4852 7.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.4367 7.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 -0.7468 7.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 0.1011 5.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1186 -1.5585 4.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -0.5448 6.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 -2.2649 6.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 -1.3816 4.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 0.3042 4.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2377 -0.6333 6.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2633 -2.1743 5.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -0.9529 5.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4714 -1.1514 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2363 1.4771 5.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9239 2.4766 3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5308 1.0840 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4868 -0.3181 2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3838 2.3355 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6945 1.0929 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2362 -0.9604 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1686 -1.3526 0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -1.6772 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -1.2494 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -3.5835 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5139 -3.1289 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 -3.9811 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -3.6522 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6679 -5.5475 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -5.7373 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 -6.0686 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 -1.2465 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 -0.4923 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 1.0582 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 1.0761 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -0.6438 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 -0.7123 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 1.7621 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 1.5888 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7241 0.0499 -2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 1.3497 -2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 -1.3987 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 -0.2069 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.9384 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -1.4730 -3.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 0.5735 -4.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 -0.6755 -4.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7035 1.1633 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -0.2158 -3.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 0.9920 -5.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 1.9951 -3.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 2.1625 -5.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 3.2014 -3.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0659 4.1072 -5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 4.4777 -7.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 2.4738 -7.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 3.8383 -8.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 2.8832 -9.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 0.5737 -9.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.5279 -7.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 -0.7015 -7.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 -1.4465 -7.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1233 -0.0336 -8.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 -0.7764 -10.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -2.0707 -10.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 -3.0345 -10.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 -1.9640 -9.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 -3.0214 -7.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -3.8372 -8.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5496 -4.3585 -8.4320 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 2 0 35 36 1 0 36 37 1 0 37 38 2 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 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END