HMDB0296580 RDKit 3D DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/21:0/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 7.6514 4.7677 -5.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 3.4202 -6.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3647 2.8621 -4.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 2.5768 -4.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 2.7924 -5.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0376 3.7645 -5.3958 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2042 3.8933 -6.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 3.1252 -4.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 3.5173 -3.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5414 2.7813 -2.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 3.1798 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 2.4712 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 2.8402 1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 3.9654 1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 4.3195 3.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7623 3.5358 4.2310 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5921 3.7198 4.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 3.9195 5.5890 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9987 5.2654 5.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 3.0810 6.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 1.6288 6.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 0.8260 7.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8928 0.8616 7.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 1.6559 8.8756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 0.0578 7.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 0.1415 7.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 -0.7895 6.7391 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3961 -0.7991 7.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9805 0.4469 7.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3991 -2.0998 6.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -2.7608 5.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -2.1579 4.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 -4.0945 5.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 -4.5297 4.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -5.8838 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -6.2968 3.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 -5.3565 2.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 -5.7759 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -4.7601 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -3.3748 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1513 -3.3014 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -3.6639 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -3.6151 -2.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -4.5628 -1.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 -4.6436 -2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -5.0320 -4.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 -4.2618 -5.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 -2.8659 -5.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -2.1934 -6.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 -1.9814 -6.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 -1.1250 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.2752 -5.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 5.6010 -6.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 4.8358 -4.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6416 4.8221 -6.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 3.5228 -6.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8453 2.7254 -6.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 2.6710 -3.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 2.1547 -3.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 1.7976 -5.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 3.0099 -6.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 4.7387 -5.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 3.6904 -7.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 2.2512 -4.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 4.3676 -2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.9301 -2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 4.0369 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 1.6086 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 2.2724 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 4.5772 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 5.1913 3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 2.4628 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 2.9181 4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 3.7613 5.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 5.4064 6.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1936 3.4268 7.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 3.2321 6.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 1.1908 5.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 1.5488 6.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 -0.2335 7.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0856 1.1984 8.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 -0.1192 8.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 1.1705 7.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8966 -0.4285 5.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9688 -1.5610 6.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -1.0772 8.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 0.6374 6.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 -4.7919 6.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 -4.0793 6.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 -4.6174 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -3.7331 4.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 -6.6347 4.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 -5.8655 5.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 -7.3070 3.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5563 -6.4337 2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 -5.3244 3.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 -4.3386 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1353 -5.9561 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 -6.7322 1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 -5.0780 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -4.7347 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 -2.7466 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 -2.9462 1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -3.9640 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 -2.2767 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -2.8875 -2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -4.6297 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -2.5483 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -3.7195 -3.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 -5.6144 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -4.2806 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 -5.4271 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -3.6782 -2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -6.0750 -4.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -5.3102 -4.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 -4.7894 -6.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 -4.2959 -5.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6307 -2.9459 -5.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -2.2295 -4.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -2.8327 -7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -1.2482 -6.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 -1.4367 -7.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -2.9371 -6.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 -1.5008 -4.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -0.9475 -5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 0.7401 -4.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 0.8897 -6.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 0.2092 -5.5795 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 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 28 29 1 0 27 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 1 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 16 72 1 6 17 73 1 0 18 74 1 6 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 6 28 85 1 0 28 86 1 0 29 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END