HMDB0298106 RDKit 3D DG(a-25:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0) 140140 0 0 0 0 0 0 0 0999 V2000 16.8664 0.2579 -3.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6275 0.0699 -2.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9783 0.0415 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6963 -0.1483 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 -0.1901 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5713 1.0341 1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1348 1.8831 2.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9073 1.8512 3.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 0.7539 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 0.9320 2.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 2.2541 2.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0511 2.6912 3.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9056 2.9703 2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6336 2.9024 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 1.9487 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 2.1571 1.2811 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 1.1521 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7915 -0.2953 1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.0489 2.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 -0.4737 2.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0547 -0.6739 1.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 0.2235 0.7736 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 -1.8980 1.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 -2.0419 0.0679 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6820 -2.9836 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -3.1031 -2.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 -2.5722 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -2.5921 -1.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8094 -1.4812 -2.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0068 -0.3469 -1.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 -1.5153 -3.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 -2.8768 -4.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8478 -3.7803 -3.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2658 -3.5115 -3.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 -2.2347 -3.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3139 -2.1765 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 -0.8980 -3.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9275 -0.8130 -1.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4485 0.3759 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8501 0.8391 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1401 1.4697 -2.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4761 1.8990 -2.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6079 1.0150 -2.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1727 0.2102 -1.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6749 1.0207 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2527 0.0765 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7573 0.9668 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3811 0.2875 2.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5695 -0.5570 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7020 0.1589 1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3166 1.2671 2.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8717 0.7348 3.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5599 1.7137 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2212 2.1893 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4927 -0.6520 -3.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5207 0.3544 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3977 1.1606 -2.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0122 -0.7852 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9833 0.9785 -2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7491 -0.7039 -0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 1.0629 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3013 -1.1375 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0229 0.6868 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1309 -0.6374 1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7861 -0.9892 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5849 1.3262 1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8180 2.7901 2.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2955 1.7999 4.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4072 2.8604 3.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2352 -0.2430 3.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1026 0.0511 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9896 2.0233 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0128 3.0306 2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1743 2.7730 4.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0993 3.2823 3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5193 2.6982 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 3.9708 0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 1.4952 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 1.4200 2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 -0.4844 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8395 -0.7165 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7413 -0.7544 3.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 -2.1298 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8091 0.6197 3.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 -0.9464 3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 -1.0821 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 -2.4533 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -3.9520 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4409 -3.8603 -2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 -3.6552 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -1.9575 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.1752 -4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -0.7217 -3.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -3.4148 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 -2.7866 -5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -4.8711 -3.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 -3.8618 -2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -4.3365 -3.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -3.5747 -4.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3825 -1.3488 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -2.2827 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8432 -3.0656 -3.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -2.1880 -4.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 -0.0252 -3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0259 -0.9180 -3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5355 -1.7034 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9026 -1.0219 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7579 1.2449 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 0.1936 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0651 1.5604 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4922 -0.0295 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5748 2.5239 -2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5418 1.0668 -3.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8460 2.7630 -2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3348 2.4777 -3.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5175 0.3790 -3.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4852 1.6827 -3.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1257 -0.3391 -2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5734 -0.6302 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4731 1.6913 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9450 1.6413 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9763 -0.6288 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3749 -0.5115 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8701 1.5399 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4395 1.7616 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5921 -0.3083 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6666 1.0753 3.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9462 -0.9672 3.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3294 -1.4436 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3951 0.4484 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5146 -0.6105 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6526 2.0929 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4650 1.5894 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9927 0.4788 4.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5407 -0.1099 3.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1838 0.7868 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1497 2.4611 2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9414 3.0202 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4808 1.4091 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2174 2.6081 0.1381 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 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 17 15 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 52133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 M END