HMDB0288986 RDKit 3D PC(DiMe(11,3)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 144144 0 0 0 0 0 0 0 0999 V2000 -6.8761 2.9970 -2.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5032 3.6448 -2.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3691 4.1728 -4.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1546 5.4440 -4.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 6.5151 -3.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 7.1018 -3.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 7.1465 -2.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 6.5731 -1.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 5.4846 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 6.0744 -1.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 4.8768 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 3.8358 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 3.2732 1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 2.2486 2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 1.5600 1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 1.5092 1.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 2.0025 2.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 2.8218 4.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 2.1365 5.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 1.7652 6.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 1.9759 6.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0258 0.6705 6.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.3403 5.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 -0.1666 4.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 -1.5684 5.2577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -2.6387 4.4009 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3625 -3.2716 3.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -2.3624 3.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -2.7734 2.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6727 -3.9465 2.7648 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 -1.8683 1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2511 -0.7999 1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 -1.4811 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 -0.4482 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -1.1227 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 -2.0662 -2.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 -2.7741 -3.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 -1.7768 -3.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -2.5008 -4.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2968 -1.6475 -5.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 -0.6758 -4.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3369 -0.7812 -4.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7486 0.2594 -3.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1054 0.4830 -2.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 1.4256 -3.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2760 1.5823 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 1.1647 -3.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 2.4963 -2.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 0.5687 -4.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 1.2589 -4.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 -3.7526 5.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 -4.7739 4.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 -6.0777 4.8544 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1440 -5.7491 5.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -6.4716 6.3296 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5116 -7.4168 3.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 -7.0607 2.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 -8.1749 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -8.6374 1.3451 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.7444 -9.9359 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 -7.7212 1.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -8.6922 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8236 2.2031 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5885 3.7598 -2.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 2.5466 -3.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2673 4.3459 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7396 2.8116 -2.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 3.4413 -5.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0749 5.6947 -5.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 6.2481 -2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7951 7.2980 -3.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 7.5519 -4.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7712 7.6374 -3.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7919 6.0885 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 7.3515 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 4.7103 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 7.0490 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 5.2644 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 3.4838 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 3.7336 2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 1.9111 3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 0.4432 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 1.8979 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3629 0.9027 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 1.7928 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 3.1607 3.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 3.8006 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 1.9246 5.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.2564 7.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 2.5823 7.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 2.5430 5.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1425 0.8701 6.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 0.2518 7.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -2.3192 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -4.1154 3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 -3.7280 4.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6169 -2.4919 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9238 -1.4157 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 -0.2141 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -0.1693 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 -2.1714 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 -2.1195 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 -0.0189 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9892 0.3155 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 -1.6456 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -0.3373 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 -1.6060 -3.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 -2.8487 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -3.3934 -3.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 -3.4374 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7738 -1.2160 -2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -1.0853 -4.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8344 -3.2502 -5.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 -3.1475 -3.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 -2.3104 -5.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 -1.0417 -6.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 0.9778 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6122 -0.4785 -2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 2.4136 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 1.0739 -4.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1678 1.6084 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7791 2.5240 -3.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9621 0.7546 -3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4747 2.4870 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 3.2967 -3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 2.7459 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 2.3524 -4.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8031 0.8858 -5.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 1.1851 -3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 -4.0190 6.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 -3.2547 5.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 -6.0921 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -6.8855 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -9.0372 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 -7.8354 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -9.9897 2.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -10.6856 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -10.0218 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 -8.0499 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 -6.7134 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 -7.7824 2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 -7.7569 -0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 -8.7886 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -9.5177 -0.5325 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 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 43 47 2 0 47 48 1 0 47 49 1 0 49 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 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 49 41 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 26 94 1 6 27 95 1 0 27 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 48124 1 0 48125 1 0 48126 1 0 50127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 62142 1 0 62143 1 0 62144 1 0 M CHG 2 55 -1 59 1 M END