HMDB0047827 RDKit 3D TG(14:1(9Z)/20:0/20:3n6) 165164 0 0 0 0 0 0 0 0999 V2000 8.7886 -5.1594 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2123 -4.0319 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 -3.8653 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 -2.7909 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2033 -3.0697 -2.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1317 -3.2623 -2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7451 -3.2444 -2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 -4.6079 -2.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 -4.5533 -2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9259 -5.8749 -2.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 -5.7548 -1.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -5.5555 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0851 -5.3543 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 -4.0927 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 -3.0459 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -4.0123 -1.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2378 -2.9937 -2.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 -2.1269 -2.5805 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9291 -1.8528 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1573 -0.8587 -0.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2039 0.4908 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0453 0.9009 -1.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2655 1.4515 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8207 2.5956 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 3.5497 1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 2.8061 1.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 3.6413 2.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 4.6675 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 5.5473 4.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 6.8402 4.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0616 7.7325 3.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 8.7848 2.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 9.2027 2.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 8.5289 3.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 8.4645 2.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 7.4669 1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 6.0460 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 5.1991 2.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 3.7191 2.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 3.3140 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7825 1.8481 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3706 -1.1445 -3.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4056 -0.2133 -4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 -0.3702 -5.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4532 0.9471 -4.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 0.4553 -4.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 1.3808 -4.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 1.6348 -3.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 0.3580 -2.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3808 0.4854 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 -0.9209 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -1.1793 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 -0.9477 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -1.4523 2.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.9318 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3404 -1.7180 3.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -1.1349 4.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -0.8452 3.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5601 -1.9477 3.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7797 -1.2474 2.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -2.1807 1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8769 -1.3641 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8200 -2.3243 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7189 -5.5013 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0447 -6.0020 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 -4.8722 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7131 -3.0768 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -4.2308 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 -3.6716 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2543 -4.8649 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 -2.6572 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7211 -1.8632 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2232 -3.1018 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 -3.4592 -3.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 -2.8458 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 -2.5693 -3.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 -5.4050 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -4.8724 -3.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 -3.7375 -2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -4.4589 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -6.7343 -1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 -6.0301 -3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0859 -6.6718 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9575 -4.9393 -2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 -6.4205 0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 -4.6197 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -6.2040 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -5.1736 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3975 -2.2419 -2.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -3.4207 -3.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 -2.8918 -2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9294 -2.8195 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0136 -1.5247 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 1.8531 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 0.8864 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 3.2309 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3838 2.3085 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2255 4.4099 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 3.9377 0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 2.2240 2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 2.0242 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 3.9770 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 2.9055 3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 5.2429 2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 4.0872 4.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 5.0473 4.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2538 7.2887 4.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 8.2542 3.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 7.1756 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 9.3908 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 10.0787 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 9.0130 4.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 7.4304 3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 9.4831 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 7.6623 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 5.6144 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 5.8297 2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 5.3510 3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 5.3456 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 3.5342 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 3.0769 2.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 3.8603 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 3.4857 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 1.2244 1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 1.7767 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3835 1.4520 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 1.3966 -3.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 1.7036 -5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 -0.5381 -4.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 0.2841 -6.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 0.9633 -5.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 2.3773 -5.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3773 2.1749 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3404 2.2693 -3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 -0.2222 -3.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -0.2633 -2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 1.1455 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 0.8191 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 -1.4442 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -1.4684 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 -2.3787 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 -0.9202 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 -1.2385 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6922 0.2073 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 -2.6069 2.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -1.2809 3.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -1.2243 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 0.1388 3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 -2.7566 3.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -1.7916 4.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 -1.8834 5.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 -0.2158 5.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 -0.2578 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -0.0458 3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9913 -2.4881 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 -2.6399 3.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2673 -0.7300 3.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3865 -0.4858 1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2319 -2.8483 2.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3132 -2.8263 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4857 -0.6063 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4528 -0.8774 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7318 -1.7797 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2358 -2.7441 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1524 -3.1233 1.2931 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 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 18 42 1 0 42 43 1 0 43 44 2 0 43 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 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 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 17 90 1 0 18 91 1 6 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 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 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 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 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 63165 1 0 M END