HMDB0046237 RDKit 3D TG(20:0/O-18:0/18:1(9Z)) 178177 0 0 0 0 0 0 0 0999 V2000 0.1275 -4.6212 4.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 -4.5616 4.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 -4.8005 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -3.7918 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9544 -4.0282 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -3.0301 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.6438 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 -0.6122 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 0.7175 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 1.6870 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 1.5816 -0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 2.6086 -1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 2.3792 -1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5363 3.3721 -2.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 4.7953 -1.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 5.0655 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0408 4.8507 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1547 5.1564 1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 6.3723 1.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0517 4.2054 2.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 4.5162 3.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9591 3.2615 4.6139 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1692 2.3593 4.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4916 1.7443 3.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8241 0.8806 2.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6176 0.6231 2.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3869 0.2607 1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4384 1.0374 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1235 0.1991 -1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3791 -1.0692 -1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -0.7322 -1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1753 -1.9648 -2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -1.5540 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 -0.9252 -4.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 -0.4457 -4.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -1.4800 -4.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 -0.7981 -5.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -1.5985 -5.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 -2.8940 -6.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 -3.0062 -7.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 -2.2705 -8.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -2.6123 -10.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -2.2973 -10.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 -2.7127 -11.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 -4.1958 -11.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9622 3.6479 5.9324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 3.4489 6.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 2.0895 7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 1.2241 6.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -0.1431 6.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 -1.0059 5.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.7281 4.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 0.6422 4.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0925 0.7750 3.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 2.2389 3.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5754 2.5023 2.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 2.0559 3.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 2.3711 3.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 1.8169 3.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4553 2.1856 3.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7568 1.7305 3.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1254 0.3017 3.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3052 -0.6967 4.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9508 -2.1037 4.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -3.9276 3.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 -4.2878 5.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 -5.6726 4.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 -5.2589 4.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 -3.5452 4.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1935 -4.7166 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -5.8461 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -3.8295 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 -2.7878 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -4.0438 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 -5.0755 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -3.2624 -1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -3.1329 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -1.5491 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 -1.4182 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 -0.8879 -2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 -0.7981 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 0.9062 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 2.6352 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 1.8730 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 0.6008 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 3.6323 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 2.4764 -2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 1.3743 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 2.3823 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 3.2982 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 3.1411 -2.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 5.4410 -2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 5.0129 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 6.1124 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9895 4.4401 0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7577 5.5299 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 3.8287 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2542 5.1582 3.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0606 5.0593 3.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 2.7956 4.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 1.6498 5.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0624 3.0313 4.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7709 -0.6796 1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 -0.1666 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4819 1.4460 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1006 1.9526 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1828 -0.0360 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2744 0.7951 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9493 -1.6555 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 -1.6908 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -0.1641 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1644 -0.1352 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7066 -2.6197 -2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 -2.5418 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 -0.9106 -1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -2.5194 -2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -1.6319 -4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -0.0150 -3.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 0.0098 -5.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 0.4011 -3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -1.8150 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -2.2961 -5.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 0.1713 -4.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -0.5269 -6.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.7992 -4.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6636 -0.9402 -5.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 -3.6082 -5.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 -3.4048 -6.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 -2.6629 -7.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -4.0868 -7.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -1.1620 -8.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2482 -2.6126 -8.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -2.1265 -10.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8353 -3.7192 -10.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 -1.2072 -10.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 -2.8162 -9.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 -2.1057 -12.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 -2.4981 -11.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 -4.7331 -10.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0303 -4.3337 -12.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -4.6676 -12.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0942 4.0939 6.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 3.9558 7.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 2.1952 7.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 1.5889 7.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 1.7200 5.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9068 0.9271 5.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7742 -0.0007 7.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3576 -0.7030 7.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -1.0081 4.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -2.0912 5.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -1.4755 4.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2163 -0.9369 5.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 0.9504 3.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 1.3186 5.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 0.3993 4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 0.1899 2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 2.4837 2.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 2.8057 4.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 3.6056 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 1.9864 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 2.6303 4.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 0.9673 3.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 1.9566 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 3.4666 3.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 0.7970 4.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2232 2.3895 4.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3653 1.8182 2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 3.3168 3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5552 2.2827 3.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 2.1122 4.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1876 -0.0468 2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2012 0.1937 3.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3205 -0.8629 3.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2195 -0.4737 5.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8429 -2.4492 3.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9758 -2.1123 4.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3373 -2.7748 4.8718 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 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 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 22 46 1 0 46 47 1 0 47 48 1 0 48 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 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 0 21 99 1 0 22100 1 6 23101 1 0 23102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 45141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 59167 1 0 60168 1 0 60169 1 0 61170 1 0 61171 1 0 62172 1 0 62173 1 0 63174 1 0 63175 1 0 64176 1 0 64177 1 0 64178 1 0 M END