HMDB0051526 RDKit 3D TG(22:1(13Z)/24:0/O-18:0) 202201 0 0 0 0 0 0 0 0999 V2000 7.5240 4.3465 1.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9874 3.1611 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1355 1.9600 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 2.1725 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 0.9439 1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.3970 2.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 1.1555 3.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2405 2.4089 4.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 3.0230 5.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 4.1998 5.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0162 5.1389 4.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 5.4647 4.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 6.4508 3.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 6.7771 3.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 7.7635 1.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 8.1428 1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8252 9.1321 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 9.6167 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 8.4747 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 7.7677 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4342 6.6129 -1.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 5.9418 -3.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 6.3922 -3.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 4.8546 -3.7313 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 4.3459 -4.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 3.1902 -5.5203 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4604 2.7893 -6.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 2.4545 -6.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4372 2.0269 -7.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 1.8552 -7.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 0.9485 -6.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -0.5007 -6.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 -1.2224 -5.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -2.6881 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 -3.2793 -3.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -4.7562 -3.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 -5.3210 -2.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5368 -6.8081 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 -7.4435 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -6.8929 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2726 -7.5049 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 -7.3447 1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -5.9025 1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 -5.6859 1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 -6.2640 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8281 -5.9677 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 2.0437 -4.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7462 1.5854 -4.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6989 2.3015 -4.9799 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 0.4188 -3.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8549 0.5367 -2.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 1.0042 -1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5459 2.3508 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 2.8159 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 2.8754 1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 1.5701 1.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 0.8119 2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6179 -0.5613 2.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 -1.3236 3.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 -2.7600 3.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2502 -3.5169 2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8057 -4.8962 2.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1513 -5.5656 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 -5.9060 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 -6.3917 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 -5.4927 -1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 -4.3133 -2.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -3.2987 -1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 -2.1700 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 -1.2135 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.0678 -1.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 0.7089 -2.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 4.7114 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2327 5.2137 1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 4.1212 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0988 3.3497 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0108 2.9123 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2817 1.6452 2.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4437 1.0945 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 2.2028 -0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2507 3.1294 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 1.0113 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3431 0.1399 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 -0.6514 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 0.0576 2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 1.3640 3.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5293 0.4598 4.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 3.1291 3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3034 2.0451 4.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 2.3954 6.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 4.5358 6.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5014 4.8841 3.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 6.1195 4.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 5.9285 5.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 4.5314 4.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 7.4125 3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 6.0923 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 5.8828 2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5311 7.2546 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 8.6987 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 7.3834 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 7.2454 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 8.5775 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 8.7309 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 10.0163 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 10.3461 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 10.1341 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 7.8174 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 8.9318 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 7.3190 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 8.4826 -2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 5.9972 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 7.1174 -2.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 3.9741 -4.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 5.1569 -5.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 3.5356 -5.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 3.6962 -7.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9855 2.0030 -7.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 1.1076 -7.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 2.8025 -8.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 1.4637 -8.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 2.8553 -7.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 1.0157 -6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 1.2855 -5.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0523 -0.6941 -6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 -0.9706 -7.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 -1.0769 -5.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -0.7693 -4.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -3.2101 -5.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4408 -2.9374 -5.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 -2.7272 -2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 -3.0545 -3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -5.2295 -4.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -5.0578 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -5.1415 -2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 -4.7851 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -7.0866 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 -7.3332 -3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 -7.3144 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0301 -8.5484 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -7.1211 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 -5.7921 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -6.9873 2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 -8.5730 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 -7.8116 2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3285 -7.9216 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -5.4783 2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -5.3180 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9698 -6.2064 2.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7742 -4.5803 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 -7.3662 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 -5.8044 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9544 -6.0633 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 -4.9270 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4882 -6.6627 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4286 -0.4169 -3.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -0.0649 -4.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3318 -0.4647 -2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7968 1.1644 -2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9983 1.1138 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 0.2721 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3343 3.1529 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 2.3789 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 2.1608 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 3.8371 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 3.4826 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6592 3.4511 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 1.8223 2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2118 0.8959 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 1.4205 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 0.6983 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 -0.3444 3.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 -1.0760 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.8023 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6259 -1.3662 2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 -3.2088 3.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 -2.6786 4.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 -2.9019 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 -3.7074 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7282 -4.7867 3.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -5.4984 3.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -4.9568 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 -6.5120 1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -6.9074 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 -5.2990 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 -7.3722 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -6.7378 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0688 -6.1334 -2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 -5.2432 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7799 -3.7394 -2.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2731 -4.6867 -2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8817 -3.6498 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 -2.7822 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 -1.7467 -2.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 -2.5726 -2.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 -1.7514 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -0.9022 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 0.5989 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -0.5244 -2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 1.7907 -2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 0.5130 -3.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 0.4060 -2.5896 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 2 0 22 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 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 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 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 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 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 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 6 85 1 0 7 86 1 0 7 87 1 0 8 88 1 0 8 89 1 0 9 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 12 95 1 0 13 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 15101 1 0 16102 1 0 16103 1 0 17104 1 0 17105 1 0 18106 1 0 18107 1 0 19108 1 0 19109 1 0 20110 1 0 20111 1 0 21112 1 0 21113 1 0 25114 1 0 25115 1 0 26116 1 6 27117 1 0 27118 1 0 29119 1 0 29120 1 0 30121 1 0 30122 1 0 31123 1 0 31124 1 0 32125 1 0 32126 1 0 33127 1 0 33128 1 0 34129 1 0 34130 1 0 35131 1 0 35132 1 0 36133 1 0 36134 1 0 37135 1 0 37136 1 0 38137 1 0 38138 1 0 39139 1 0 39140 1 0 40141 1 0 40142 1 0 41143 1 0 41144 1 0 42145 1 0 42146 1 0 43147 1 0 43148 1 0 44149 1 0 44150 1 0 45151 1 0 45152 1 0 46153 1 0 46154 1 0 46155 1 0 50156 1 0 50157 1 0 51158 1 0 51159 1 0 52160 1 0 52161 1 0 53162 1 0 53163 1 0 54164 1 0 54165 1 0 55166 1 0 55167 1 0 56168 1 0 56169 1 0 57170 1 0 57171 1 0 58172 1 0 58173 1 0 59174 1 0 59175 1 0 60176 1 0 60177 1 0 61178 1 0 61179 1 0 62180 1 0 62181 1 0 63182 1 0 63183 1 0 64184 1 0 64185 1 0 65186 1 0 65187 1 0 66188 1 0 66189 1 0 67190 1 0 67191 1 0 68192 1 0 68193 1 0 69194 1 0 69195 1 0 70196 1 0 70197 1 0 71198 1 0 71199 1 0 72200 1 0 72201 1 0 72202 1 0 M END