HMDB0050661 RDKit 3D TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -6.1419 7.9538 3.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6628 7.6432 3.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0077 7.4846 2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 6.3560 1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9669 6.2642 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 5.9869 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 4.9350 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 3.8982 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 2.5765 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 1.5969 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 1.8045 -2.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 1.0294 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 0.2648 -4.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 -0.0100 -4.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 -1.3062 -4.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -2.4859 -4.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 -2.7241 -4.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -3.8168 -3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 -3.6860 -2.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -2.4348 -1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -1.3649 -1.8609 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 -2.4061 -0.3779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8932 -1.4132 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 -1.4214 1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -0.4739 2.6655 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 0.8698 2.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 1.4189 1.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 1.7021 3.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 2.6417 2.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 3.7078 2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 4.4917 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 5.6510 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 5.3460 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 6.6249 -1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3704 6.4756 -2.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 5.6432 -3.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 6.1123 -4.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 5.3981 -4.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 3.9856 -3.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 3.5880 -2.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 2.0800 -2.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 1.4016 -1.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8717 -0.1017 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7173 -0.9412 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -2.3921 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1212 -3.3549 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -1.3466 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -2.4684 1.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 -3.7109 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 -3.9245 -0.5139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6606 -4.9103 1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -5.7846 2.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -5.1008 3.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -5.9641 4.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 -6.4422 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -5.2249 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 -5.5824 2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 -4.2370 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0284 -4.3951 1.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9995 -5.0632 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 -4.4949 -0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0178 -3.1414 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 -3.0544 -1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4701 -3.8297 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7394 -3.5631 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8886 -4.4525 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6191 -5.9043 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4251 -6.4367 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4747 -6.2596 3.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6809 7.0605 3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5216 8.1346 4.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3089 8.8492 2.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5373 6.7552 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 8.4983 4.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0691 8.4481 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 7.2914 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5143 5.4472 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 6.5767 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5363 5.7240 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 7.3513 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 6.7050 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 4.8073 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8021 4.0155 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 3.9975 -2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 2.3895 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 0.6786 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 1.4664 -2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 2.8306 -2.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 1.0824 -3.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -0.2085 -5.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 0.5163 -5.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 0.6211 -4.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -1.3108 -5.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 -3.3960 -4.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -1.8918 -3.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 -3.1045 -5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 -4.8147 -3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 -3.7243 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 -4.4835 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 -3.9386 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -0.3809 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 -1.1522 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3668 -2.3971 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 1.0077 4.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 2.2855 4.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 2.1047 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 3.1690 3.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 3.3657 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 4.4277 2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 4.7735 2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1479 3.7582 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 6.4587 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 6.1170 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 4.8902 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 4.6178 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 7.1894 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5697 7.2791 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 6.0765 -2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 7.5158 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 5.7476 -4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8698 4.6018 -3.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 7.1972 -4.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 5.9543 -4.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 3.4557 -4.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 3.5463 -3.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1907 4.0847 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 3.8219 -3.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 1.8179 -2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 1.7023 -3.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 1.7221 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 1.6141 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8066 -0.2964 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 -0.4155 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4557 -0.6985 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8023 -0.8135 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 -2.6339 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 -2.5242 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.2870 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 -3.6652 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4130 -2.8749 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -1.1900 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6859 -0.4019 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -5.5292 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5751 -4.5808 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -6.6751 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 -6.2282 1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -4.8622 3.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -4.1545 2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -6.8812 4.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -5.4269 5.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 -7.0209 4.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4035 -6.9810 2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7689 -4.5193 3.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -4.6861 2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 -6.0307 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 -6.2016 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -3.6634 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -3.7946 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 -3.4876 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5451 -5.1233 2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 -6.0933 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 -5.0175 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3805 -2.6018 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8413 -2.5192 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3429 -3.3420 -2.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7455 -1.9763 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 -4.9284 -0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 -3.7504 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 -3.8830 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0719 -2.5180 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7802 -4.1958 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1204 -4.2406 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5146 -6.4433 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5791 -6.2384 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4692 -6.0921 1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4244 -7.5561 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5869 -6.8097 3.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5203 -5.2171 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3747 -6.7621 3.6035 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 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 1 0 32 33 1 0 33 34 1 0 34 35 1 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 24102 1 0 24103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END