HMDB0050379 RDKit 3D TG(20:1(11Z)/20:0/24:1(15Z)) 199198 0 0 0 0 0 0 0 0999 V2000 -8.0111 -5.6479 -4.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7479 -5.2573 -3.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5561 -3.7465 -3.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2725 -3.3765 -1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0489 -1.9491 -1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1908 -1.0036 -1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7060 0.3530 -1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6231 1.4966 -1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1420 1.9029 -2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9266 3.1182 -3.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1038 4.0980 -2.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9049 4.6063 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 3.5544 -4.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 4.1188 -4.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 3.0873 -5.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 3.5753 -5.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 2.7196 -6.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 3.1285 -6.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 2.6048 -5.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 2.8046 -5.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 4.1562 -4.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 4.0511 -4.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 5.4585 -3.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 5.9337 -2.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 7.0659 -2.8709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 5.0688 -1.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 5.5117 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 4.4923 0.1717 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3202 4.3945 1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 3.6959 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 3.6037 3.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.1457 2.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 2.8933 4.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 3.0549 5.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 2.4221 4.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 0.8924 4.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 0.4351 4.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7816 -1.1000 4.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0485 -1.5398 3.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 -2.9649 3.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -3.9189 3.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8507 -5.3013 3.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4017 -6.3077 3.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -6.2449 4.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 -7.2644 4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -7.1045 3.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7869 -5.9615 2.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 -5.8078 3.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -5.5943 4.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -4.3557 5.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 -4.3660 6.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 3.2738 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 2.8881 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 3.7231 0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 1.5473 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 1.6929 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 0.5352 -2.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -0.4699 -3.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -1.1951 -2.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 -0.3829 -3.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 -0.9168 -3.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 -2.2899 -3.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -2.6721 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -2.7218 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -2.9514 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 -3.0103 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -1.7754 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 -1.8440 2.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 -0.5886 2.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 -0.5937 4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 0.5728 4.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 0.6733 3.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 1.8708 4.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0811 -6.0079 -5.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4454 -4.8378 -5.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7078 -6.5166 -4.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6123 -5.5892 -2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8318 -5.7958 -3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7038 -3.4827 -3.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4952 -3.2858 -3.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 -3.8513 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 -3.9189 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0961 -1.6119 -2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8585 -1.8230 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0351 -1.2829 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5178 -1.1019 -2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7264 0.4981 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4188 0.2842 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5385 1.1907 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2145 2.3221 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7585 1.2394 -3.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3435 3.3638 -4.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7796 5.0295 -2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8026 3.8810 -1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2572 5.1323 -2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 5.3808 -4.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7403 2.8358 -3.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5522 2.9911 -4.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9555 5.0371 -5.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 4.4763 -3.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 2.1449 -5.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 2.9147 -6.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 3.8559 -4.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 4.5877 -6.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 2.8892 -7.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 1.6633 -6.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 4.2231 -7.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 2.6515 -7.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 2.7416 -4.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 1.4474 -5.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 2.1800 -4.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 2.3301 -5.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 4.7293 -4.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 4.8025 -5.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 3.4390 -3.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 3.6648 -4.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 6.0989 -4.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 5.3644 -3.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 6.4192 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 5.8619 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 4.9426 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 5.4155 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 3.9038 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 1.8290 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 3.3543 5.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 2.7859 6.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 4.1662 5.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8256 2.8432 3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2365 2.6484 5.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 0.5183 4.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.5478 5.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 0.8987 4.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 0.7270 3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7585 -1.3532 5.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -1.5402 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0138 -1.2527 2.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -0.9126 4.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5756 -3.2870 4.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2912 -3.1911 3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2443 -3.6608 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 -3.8146 3.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7591 -5.4397 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9132 -7.3158 3.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 -5.2517 5.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 -6.6406 5.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 -8.2393 4.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -7.5154 5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -8.0506 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 -7.1041 2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 -5.0350 2.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6069 -6.0507 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 -4.9872 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 -6.7241 3.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -6.4615 5.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 -5.4587 4.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -4.2832 5.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3672 -3.4274 4.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 -3.7445 6.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 -5.3719 7.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -3.8752 7.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.0194 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3274 0.9174 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0432 2.4058 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 2.3624 -2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 0.9899 -2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 -0.0088 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6112 -1.2545 -3.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 -0.0223 -4.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -1.5790 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 -2.1295 -3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4298 -0.5289 -4.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 0.6874 -3.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 -0.6951 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 -0.1653 -3.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -3.0595 -3.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -2.2833 -4.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 -1.9486 -3.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -3.6719 -3.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 -3.5902 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 -1.8426 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -3.9592 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 -2.2230 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2763 -3.1864 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 -3.8805 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -1.6178 0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 -0.9134 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -1.8887 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -2.6804 2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0512 0.2638 2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -0.5442 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -1.5604 4.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 -0.5229 4.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 1.5442 4.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.3554 5.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 0.7290 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8339 -0.2360 3.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 1.6459 4.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 2.4271 4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 2.5748 3.2238 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 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 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 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 28 52 1 0 52 53 1 0 53 54 2 0 53 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 6 86 1 0 7 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 12 96 1 0 13 97 1 0 13 98 1 0 14 99 1 0 14100 1 0 15101 1 0 15102 1 0 16103 1 0 16104 1 0 17105 1 0 17106 1 0 18107 1 0 18108 1 0 19109 1 0 19110 1 0 20111 1 0 20112 1 0 21113 1 0 21114 1 0 22115 1 0 22116 1 0 23117 1 0 23118 1 0 27119 1 0 27120 1 0 28121 1 1 29122 1 0 29123 1 0 33124 1 0 33125 1 0 34126 1 0 34127 1 0 35128 1 0 35129 1 0 36130 1 0 36131 1 0 37132 1 0 37133 1 0 38134 1 0 38135 1 0 39136 1 0 39137 1 0 40138 1 0 40139 1 0 41140 1 0 41141 1 0 42142 1 0 43143 1 0 44144 1 0 44145 1 0 45146 1 0 45147 1 0 46148 1 0 46149 1 0 47150 1 0 47151 1 0 48152 1 0 48153 1 0 49154 1 0 49155 1 0 50156 1 0 50157 1 0 51158 1 0 51159 1 0 51160 1 0 55161 1 0 55162 1 0 56163 1 0 56164 1 0 57165 1 0 57166 1 0 58167 1 0 58168 1 0 59169 1 0 59170 1 0 60171 1 0 60172 1 0 61173 1 0 61174 1 0 62175 1 0 62176 1 0 63177 1 0 63178 1 0 64179 1 0 64180 1 0 65181 1 0 65182 1 0 66183 1 0 66184 1 0 67185 1 0 67186 1 0 68187 1 0 68188 1 0 69189 1 0 69190 1 0 70191 1 0 70192 1 0 71193 1 0 71194 1 0 72195 1 0 72196 1 0 73197 1 0 73198 1 0 73199 1 0 M END