HMDB0049180 RDKit 3D TG(18:1(11Z)/22:0/20:3(5Z,8Z,11Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -0.4354 -3.6552 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 -3.9626 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -3.8174 2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 -4.1128 3.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -3.9539 4.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -4.1866 5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 -3.4033 6.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0774 -2.2312 6.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 -1.3222 5.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 0.0290 6.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 0.8671 4.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 2.2425 5.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 2.2242 5.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 3.6274 6.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2528 4.5285 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 4.3076 3.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 3.0650 2.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 3.1278 1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8686 4.1470 1.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3746 2.0103 1.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2454 1.8476 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 0.3677 -0.4925 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6092 -0.4881 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 -1.8728 0.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 -2.7491 1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 -2.2426 2.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9025 -4.1799 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -4.7670 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.3984 -1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -5.1534 -1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -6.0289 -2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3148 -6.3776 -3.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 -6.1776 -4.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -5.6615 -5.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -5.1224 -5.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 -5.8758 -6.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -5.3290 -7.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -3.8984 -7.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -3.3802 -7.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 -3.6299 -6.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -3.1348 -6.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8508 -3.3654 -4.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -2.8764 -4.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 -3.1024 -3.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3368 -2.6100 -3.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 0.1563 -0.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4044 -0.0906 -2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 -0.1250 -3.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 -0.3250 -2.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -0.1583 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 1.2269 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 2.2747 -2.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 1.9848 -2.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 2.9606 -3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 4.3820 -3.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2505 4.5998 -2.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 6.0938 -1.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 6.4156 -0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 5.7480 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2446 6.2185 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 5.6086 2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 4.1423 2.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3835 3.3973 2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5081 3.4158 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 4.5306 3.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2422 5.2504 2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7607 5.9520 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9607 6.6366 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5009 7.3641 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 -2.6168 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 -3.7441 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 -4.3134 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -3.2250 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -5.0173 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 -4.3410 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 -2.7207 2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -3.5053 3.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 -5.2194 3.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -3.0993 4.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2979 -4.8342 4.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 -4.5324 6.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -5.2436 5.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 -3.8948 7.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 -1.8450 7.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 -1.6166 4.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -1.0080 5.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -0.0917 6.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 0.5142 6.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 0.3667 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 1.0107 4.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 2.8535 5.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 2.7343 4.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.7546 6.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 1.6335 5.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 3.6413 6.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 4.0875 6.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 5.6225 5.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2062 4.6125 4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 5.1613 3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2578 4.4589 4.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 2.1823 3.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 2.8619 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.9738 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 2.4826 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7311 0.2691 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 -0.2151 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7154 -0.2932 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9011 -4.6557 0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 -4.5739 2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -5.8858 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -4.5211 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 -3.3125 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9055 -4.4865 -1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7895 -4.9655 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1254 -6.5468 -3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -6.0389 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4357 -7.5379 -3.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7541 -6.5334 -4.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5894 -5.6118 -6.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 -4.9446 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -4.0523 -5.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 -6.9706 -6.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 -5.9662 -8.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 -3.8475 -8.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -3.2667 -7.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7222 -2.3030 -7.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1136 -3.9180 -8.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 -3.1464 -5.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 -4.7254 -6.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -3.6883 -6.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 -2.0694 -6.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 -2.8786 -3.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8493 -4.4573 -4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -3.4112 -5.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 -1.8060 -4.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 -4.2062 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 -2.5844 -2.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5418 -1.9047 -4.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0078 -3.4738 -3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 -2.1620 -2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 -1.3922 -2.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 0.2668 -3.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 -0.5389 -1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -0.8222 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1557 1.2901 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 1.4995 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 2.4111 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 3.2317 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 1.8860 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 0.9839 -3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 2.9390 -4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 2.6413 -4.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 4.8235 -2.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 4.9665 -4.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 4.2751 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 4.1087 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 6.3865 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 6.6013 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 6.1662 -1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2712 7.5059 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 6.1498 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 4.6673 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 7.3030 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1329 5.8941 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 5.9030 3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7928 6.1273 3.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 3.8062 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 3.7826 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7636 3.6442 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0668 2.2955 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2615 2.6197 2.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1678 2.8222 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6981 5.2870 4.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9761 4.1200 4.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0586 4.5015 2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8548 5.9841 3.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3483 5.2662 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0295 6.7300 1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4918 7.2810 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6548 5.8389 0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4054 7.2810 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9981 7.0609 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7570 8.4563 -0.0623 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 2 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 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 22 46 1 0 46 47 1 0 47 48 2 0 47 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 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 6 82 1 0 7 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 6 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 30114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 69183 1 0 M END