HMDB0295561 RDKit 3D DG(16:0/0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 115114 0 0 0 0 0 0 0 0999 V2000 15.8114 0.7572 1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5207 0.3528 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5419 -0.1916 1.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 -1.4244 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4631 -2.3978 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2374 -2.7797 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9819 -2.6340 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9465 -2.0276 -2.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 -0.7876 -3.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1976 -1.1839 -3.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0195 0.1688 -1.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7879 0.2686 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5969 1.2223 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4399 1.4010 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 0.6282 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -0.1456 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4593 0.0935 1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 1.0435 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 2.0587 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 2.1912 2.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 1.4037 1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 2.3445 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 1.4829 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 1.6503 0.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 0.5352 -0.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -0.3143 -1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 0.4039 -2.2229 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6742 1.3447 -1.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -0.6387 -2.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6264 -1.2885 -1.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 -0.7673 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 0.4416 -1.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 -1.6058 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3109 -0.8286 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4267 -0.2241 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2579 -1.2780 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3705 -0.6035 -1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2676 0.2115 -0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9773 -0.5617 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8220 0.4225 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5654 -0.3010 2.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4922 -1.3473 1.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5517 -0.7714 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3714 0.2338 1.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4364 0.9287 0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5213 0.1270 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1401 -0.8558 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5646 -0.0460 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2760 1.6290 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5828 1.0695 2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0780 1.3292 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6947 -0.2312 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1705 0.4333 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3647 -1.7796 2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3086 -2.1512 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7659 -3.3420 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4566 -3.2480 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 -2.9921 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2096 -2.7793 -3.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8193 -1.6454 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0822 -0.3278 -3.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 -2.1534 -3.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8056 0.7982 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 -0.3932 -1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4498 1.8355 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 2.1478 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 1.2813 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4996 -0.1527 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -0.8904 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0933 -0.5004 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6446 0.4181 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 1.5892 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8131 2.7053 2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 2.9778 2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8928 0.5318 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.0434 2.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3579 3.1130 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2785 2.7827 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 -1.1195 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -0.8013 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 0.8870 -3.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 2.2413 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 -0.0741 -3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3153 -1.3629 -3.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5664 -2.0047 0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7113 -2.4739 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7431 -0.0399 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 -1.4999 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 0.3145 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1177 0.5216 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7489 -1.9539 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6078 -1.7811 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9491 0.0445 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9777 -1.4429 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7249 1.0814 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0657 0.6529 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2705 -1.0161 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6155 -1.3330 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1912 1.1857 1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4965 0.9598 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7734 -0.8759 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1117 0.3588 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9634 -2.1955 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0611 -1.7702 2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0948 -0.3186 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1522 -1.6454 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7102 -0.1684 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6311 1.0435 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9483 1.6366 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9565 1.6354 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2449 0.8668 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1703 -0.3759 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9096 -0.7680 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2319 -1.9230 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1874 -0.6402 -1.3515 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 26 79 1 0 26 80 1 0 27 81 1 6 28 82 1 0 29 83 1 0 29 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 47115 1 0 M END