HMDB0046978 RDKit 3D TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 187186 0 0 0 0 0 0 0 0999 V2000 -0.0226 -0.1728 1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 0.7418 1.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 0.0834 2.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -0.2617 2.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 -0.1098 1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 -1.4121 1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 -2.0036 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.4683 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -2.4547 -1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -2.2951 -1.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 -0.9937 -1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -0.5596 -3.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2585 -0.4065 -3.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 -0.6726 -2.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1814 -1.7825 -3.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 -1.7180 -3.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -0.4742 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -0.8552 -2.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 -0.2821 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8047 0.8957 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8664 1.9383 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5711 3.2212 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 4.1474 0.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 3.6503 1.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 4.9681 1.6107 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7202 4.9542 3.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8334 4.1990 3.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 4.0998 5.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1831 4.7002 5.6574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 3.3596 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 3.1915 5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 2.4116 6.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 1.0049 7.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 0.2275 5.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 -1.1170 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -2.2277 5.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 -2.2891 5.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.8720 4.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 -3.4096 3.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2652 -3.5190 3.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -4.9802 3.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 -5.6015 2.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 -4.8205 0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -5.0228 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3963 -5.5513 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -6.0239 -1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -7.4923 -1.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -8.4526 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -8.1970 -1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 -8.9021 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 5.8378 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 5.7130 1.4948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8973 5.0363 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 3.9335 0.8865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 5.6038 2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5763 4.9184 2.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 4.6347 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 4.0536 0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3651 3.7099 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6839 3.2530 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7409 2.8348 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4532 1.6202 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7403 1.2743 -2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6791 0.0743 -2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 0.0638 -4.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9476 -1.3384 -4.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2793 -1.6494 -5.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7805 -1.4450 -5.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2228 -1.9124 -7.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7538 -1.6970 -7.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4407 -0.1874 -7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 0.0119 -7.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.4093 -7.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 2.3234 -6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 2.6046 -6.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 -1.1488 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6415 -0.2540 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 0.1867 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 0.8481 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7499 1.6710 2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 -0.1210 3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 -0.7605 3.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 0.4662 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8197 0.5042 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1478 -1.9726 2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2658 -3.0018 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 -0.4876 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2251 -1.3849 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 -3.5112 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 -3.1296 -2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -0.2194 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -0.9257 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 -0.3660 -3.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -0.0900 -4.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 -1.0694 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 0.2680 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -2.7344 -3.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -2.6052 -3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -0.3079 -4.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.3864 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.7202 -2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 -0.6610 -0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0212 1.2115 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 0.6276 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2851 2.1624 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 1.4840 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 5.4842 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 4.6235 3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 6.0075 3.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 3.7707 7.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 2.3249 6.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 4.2067 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 2.7216 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 2.3380 6.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 2.9227 7.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 0.5108 7.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 1.0116 7.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.7587 5.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 0.3080 5.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -1.1908 6.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 -3.1633 6.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -1.2636 5.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 -2.8340 6.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 -2.8797 4.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -3.8290 2.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 -3.1015 3.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 -2.9950 2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -5.5425 3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -6.6642 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -3.7554 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -5.3128 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 -4.6995 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -5.6708 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -5.5741 -2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 -5.7770 -1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -7.7885 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -9.4902 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -7.1730 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 -8.7238 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -10.0086 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -8.7252 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -8.5019 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 6.9131 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5204 6.0285 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 5.9895 3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 6.6102 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 5.5715 2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 3.9801 2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 3.9886 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 5.5869 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1072 4.7614 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 3.1003 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 4.6040 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9003 2.8653 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4491 2.4451 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0554 4.0949 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6605 2.5658 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0836 3.6777 -1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 1.7623 -2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2184 0.7752 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9955 2.1716 -2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5874 1.2234 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7165 -0.1558 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 -0.8555 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 0.2291 -3.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1406 0.7629 -4.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6431 -2.0449 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0632 -1.4825 -4.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4524 -2.7259 -6.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6723 -1.0201 -6.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -2.0033 -5.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6214 -0.3591 -5.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4145 -3.0129 -7.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -1.4401 -8.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 -2.1485 -6.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 -2.1228 -8.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 0.3278 -8.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 0.1729 -6.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6631 -0.5386 -8.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 -0.5670 -6.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 1.9067 -8.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 1.4224 -7.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 1.9467 -5.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 3.3092 -6.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6094 2.1652 -5.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 3.7191 -5.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 2.3999 -7.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 2 0 28 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 25 51 1 0 51 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 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 6 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 74183 1 0 74184 1 0 75185 1 0 75186 1 0 75187 1 0 M END