HMDB0049621 RDKit 3D TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -6.3524 -3.9963 5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8888 -4.1999 4.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8552 -5.0618 3.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6371 -6.2182 3.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4031 -7.0018 3.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1921 -6.5324 3.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -6.2301 2.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 -6.3486 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -7.2710 1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 -6.8504 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7428 -5.4693 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 -4.8131 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 -4.2717 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -4.2389 -1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 -2.7961 -1.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -2.2797 -2.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 -3.0507 -2.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 -2.4112 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 -2.4803 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -2.0040 1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2763 -2.8330 1.7849 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 -0.7068 1.7417 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 -0.4513 2.9020 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2847 -0.1628 4.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -1.2699 4.0844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 -1.0987 5.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2829 -0.1377 5.7892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -2.2207 5.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 -2.5752 3.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -1.2914 2.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.8689 3.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.7265 2.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 -0.9820 1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -2.0468 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 -1.9001 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 -0.6887 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -0.8307 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 -0.6450 -2.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4774 -0.2777 -2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 1.0426 -2.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3683 1.3003 -1.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3680 0.2641 -2.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7099 0.3035 -1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6593 1.3914 -1.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3486 2.7703 -1.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0749 2.8567 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 0.6085 2.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 1.9189 2.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 2.7347 3.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6218 2.2152 4.6133 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 4.0969 3.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 4.0460 3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 5.3982 3.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 5.2615 3.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7965 4.9497 2.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 4.6989 2.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 4.5414 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 3.4801 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 3.4446 -1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 2.5116 -2.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 2.8775 -3.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 4.2777 -3.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 4.8441 -4.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6048 4.0503 -5.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 4.5931 -5.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7338 3.7670 -6.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 4.2938 -6.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4009 -4.9653 6.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5713 -3.3969 6.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 -3.4992 5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0753 -3.1511 3.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8519 -4.4110 4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9193 -4.6224 3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5744 -6.6871 2.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6084 -8.0269 3.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 -7.3925 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1768 -6.4686 4.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2015 -5.8675 3.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -5.3518 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8753 -6.8586 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 -8.3114 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -7.5218 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 -5.5502 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -4.8923 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1948 -4.8005 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -3.8328 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 -4.7449 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6806 -4.7191 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 -2.1912 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 -1.2124 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.8344 -3.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1943 -4.0879 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 -3.0727 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -1.4038 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 -1.8744 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 -3.5488 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7795 -1.3709 3.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7466 -0.1631 5.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 0.7065 3.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 -3.0488 5.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 -1.8676 5.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 -3.3406 3.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 -2.8991 3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -1.5064 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 -0.4889 3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -0.6604 4.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -0.4035 3.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 0.0143 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 -1.3499 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -3.0211 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 -2.7736 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1055 -0.2589 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 0.1538 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 -1.1037 -2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -0.7697 -3.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1867 -1.0304 -2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6637 -0.5373 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 1.9085 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2387 1.0563 -3.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6843 2.2650 -2.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2445 1.5471 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9531 -0.7718 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5095 0.1510 -3.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7082 0.0922 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2320 -0.6551 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8840 1.4531 -2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6851 1.1494 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3386 3.3588 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5858 3.2542 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0027 2.7003 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6959 2.1219 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3346 3.8793 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0258 0.5682 3.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 0.3202 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 4.6147 4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 4.7123 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 3.5657 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 3.3922 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 5.8652 4.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 6.0751 2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 6.2004 4.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 4.4343 4.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 4.1621 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 5.8961 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 5.4923 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 3.7353 2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 4.2489 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0968 5.5321 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 2.4696 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 3.6815 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 3.1037 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 4.4340 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 1.4370 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8921 2.1250 -4.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 4.9607 -3.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 4.1742 -5.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 4.8569 -3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 5.8856 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 2.9950 -4.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0869 4.1422 -6.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 4.5797 -4.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 5.6386 -5.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 3.8251 -7.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 2.7190 -5.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5119 4.0387 -7.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8575 3.8632 -5.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 5.3977 -6.4220 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 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 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 2 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 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 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END