HMDB0268286 RDKit 3D PA(i-21:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 135134 0 0 0 0 0 0 0 0999 V2000 2.5712 -5.7520 -3.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -4.9930 -2.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -3.4870 -2.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6577 -3.1060 -3.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9197 -1.6746 -3.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -0.6630 -2.3386 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4634 -0.9821 -1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 -0.5032 -1.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 0.0941 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 0.0236 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 0.5958 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1262 1.3618 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 1.8822 1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 2.6489 3.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 3.1425 4.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 3.9172 5.0958 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8563 4.5686 4.5881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 3.1867 6.3227 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7074 4.2678 7.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8357 2.5645 7.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 1.4930 6.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 0.1043 6.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 -0.3529 5.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 0.3550 5.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 -1.7304 5.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 -2.1477 4.2667 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2242 -2.8160 3.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -2.0842 2.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 -2.6662 1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -3.8457 1.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 -2.0580 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -0.9774 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7121 -0.4669 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5401 0.6375 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5633 1.1795 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1785 1.7518 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3478 2.9597 -1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9827 2.9613 -0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 4.2735 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 4.5334 -2.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 3.4602 -3.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 3.4034 -2.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0784 4.7061 -2.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 4.7095 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 3.6717 -2.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 3.7951 -4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 2.7015 -4.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 2.7257 -6.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 2.5583 -7.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8064 1.6811 -6.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3527 -3.2251 4.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 -4.2792 5.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 -5.5220 6.0201 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2260 -6.8382 5.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 -5.6843 7.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -5.0694 6.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6769 -5.7517 -3.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1635 -6.7658 -3.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -5.1375 -4.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 -5.2233 -2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -5.2855 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5605 -3.2337 -3.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -3.0072 -1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.7346 -3.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -3.4920 -2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -1.4103 -4.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -1.5762 -3.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 0.3127 -2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 -1.2127 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 -1.0168 -2.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2067 0.6505 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4018 -0.5338 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 0.4898 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 1.5474 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 1.7273 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9663 2.8366 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 2.9391 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 4.7192 5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 4.8025 3.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 2.6475 6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 4.7624 7.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 2.3007 8.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 3.4441 7.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 1.4828 7.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 1.8034 5.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 -0.4926 6.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 -0.4369 7.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0675 -1.3485 3.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 -3.7396 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -3.1681 2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6096 -2.8742 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4537 -1.7000 -0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2607 -1.5111 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 -0.2461 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4278 -1.2659 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 -0.0939 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9445 1.3584 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 0.0275 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1945 1.9459 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3116 0.3287 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1724 1.9861 -1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 0.9036 -1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2902 3.2999 -2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9762 3.8092 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 2.9955 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 2.1088 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8931 5.0746 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 4.3000 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0012 4.5967 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5622 5.5205 -2.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 3.7780 -4.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6952 2.4870 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2566 2.6102 -3.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 3.1374 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 5.5448 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 4.9196 -3.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 4.6552 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 5.7275 -2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 2.6681 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 3.6596 -2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 3.8227 -4.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9915 4.7804 -4.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 2.8057 -4.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 1.7015 -4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 3.7121 -6.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 3.5574 -7.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 1.8737 -6.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 2.1352 -8.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7329 2.1471 -6.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 0.9715 -7.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 1.0407 -5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -3.5587 4.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 -2.8907 5.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -6.5870 7.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 -4.8973 6.9071 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 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 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 48 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 6 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 1 17 79 1 0 18 80 1 6 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 55134 1 0 56135 1 0 M END