HMDB0049957 RDKit 3D TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -0.3048 -5.7075 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -5.6537 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -6.6214 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -6.4346 -1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -5.0909 -2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -5.1182 -2.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 -4.8916 -4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 -4.5773 -5.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 -3.2311 -5.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 -3.1536 -6.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0138 -1.9483 -7.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 -0.6919 -6.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 0.0197 -6.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 1.2985 -6.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 1.6115 -5.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 1.8005 -4.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2174 1.7194 -3.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 0.6140 -2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 0.4020 -1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5753 1.5401 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 2.3791 -0.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 1.7058 0.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 2.6359 1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 2.5656 2.8712 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7845 3.5753 3.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2316 4.8979 3.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 5.0072 3.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 3.9457 4.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 6.1932 3.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 5.7811 4.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 4.6845 3.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1423 4.1299 4.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 3.0497 4.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9065 2.3240 4.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5891 1.2747 3.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 1.8626 2.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 1.5437 2.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3288 0.6060 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 -0.5289 2.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -1.5829 3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0055 -2.7248 2.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -3.3498 1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2392 -4.4780 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9222 -5.6241 1.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0833 -6.2785 2.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2508 1.2485 3.4116 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0706 0.5554 3.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 1.1975 3.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -0.7994 4.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -0.9799 5.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 -0.6830 4.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 -1.4283 3.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 -0.9307 2.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 -1.7813 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0885 -1.7165 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.3225 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 -0.8508 -1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 0.5339 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 1.5966 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 1.5646 -0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 1.9940 -0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 3.3462 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 3.9007 -2.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8037 5.3172 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 6.2893 -1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9662 7.6510 -2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5822 8.7018 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -5.0317 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -5.5482 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -6.7488 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 -5.9262 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -4.6167 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1401 -7.6796 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -7.2622 -2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 -4.3168 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 -4.8006 -3.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -5.3375 -2.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -4.9378 -4.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 -5.3409 -5.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8553 -4.4893 -4.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -2.3686 -5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 -4.0902 -7.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -2.0657 -8.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -1.8889 -8.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -0.3618 -6.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 -0.3754 -7.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 2.0525 -6.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8404 1.1909 -5.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 1.6989 -6.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 2.0427 -4.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 1.4184 -3.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 2.6692 -2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6348 -0.3106 -2.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 0.8542 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -0.4950 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5076 0.1321 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0227 2.7069 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6745 3.6632 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1018 2.8174 2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 3.3077 4.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 3.6042 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 7.0404 4.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 6.4727 2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 6.7039 4.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 5.4652 5.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 3.8629 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 5.1320 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2103 3.7370 5.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 4.9933 5.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 3.5179 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 2.3536 3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 1.6868 5.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 2.9787 5.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 0.8675 3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 0.4235 4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 2.5846 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 2.0024 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2877 1.0129 4.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7995 0.0949 4.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9437 -0.8248 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6338 -0.0585 2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8451 -1.9954 4.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 -1.1560 4.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3922 -3.5064 3.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7986 -2.4265 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4038 -2.5585 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1018 -3.7239 2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 -4.8777 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -4.1124 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9248 -5.3699 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0822 -6.4076 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1801 -5.7042 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -6.4502 3.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7243 -7.2991 2.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0363 -1.6145 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8773 -0.9267 4.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 -2.0478 5.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -0.3890 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -0.9831 5.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2316 0.4203 4.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8726 -2.5132 3.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 0.1317 2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2509 -2.8342 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 -1.5904 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 -2.0532 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 -1.3318 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -1.5173 -2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2436 -0.9719 -0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 0.6955 -3.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 2.5669 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 0.5748 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 2.2144 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 1.2793 -1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 1.7503 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8558 3.3555 -1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 4.0638 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 3.9849 -2.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 3.2592 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 5.7067 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 5.2721 -2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 6.0122 -0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2972 6.4201 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0797 7.6439 -2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 8.0114 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 9.7196 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2885 8.5612 -0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5462 8.5973 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 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 1 0 27 28 2 0 27 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 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 3 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 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 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 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 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 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