HMDB0264670 RDKit 3D PA(20:0/18:1(12Z)-2OH(9,10)) 131130 0 0 0 0 0 0 0 0999 V2000 17.9830 0.7574 -1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4840 2.1708 -1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0938 2.0803 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1516 1.3387 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7442 1.2141 0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7162 0.5081 2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0448 -0.6024 2.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2634 -1.2400 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 -1.3888 1.7421 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0880 -2.0063 0.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1368 -0.1877 2.2752 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9495 0.3103 3.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9648 0.9479 1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2062 0.6053 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7764 0.1307 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1516 -0.2091 -1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -0.6908 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5162 -1.9278 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 -2.4241 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -1.4292 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3575 -0.3556 0.8091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 -1.7318 0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -0.8758 0.4240 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7830 -1.5237 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 -0.8849 1.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 -0.9344 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -1.6202 -0.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 -0.1778 1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -0.2791 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0278 0.3868 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8856 -0.1560 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1897 0.5776 1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9487 0.4966 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2554 -0.8947 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1415 -1.6941 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5394 -1.3041 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5138 -1.3067 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4593 -0.4420 -1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5726 1.0284 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8554 1.4590 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0206 1.0849 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3650 1.5393 -1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6651 0.9302 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9271 1.3410 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2130 1.1069 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4513 1.8206 -1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 -0.3096 -0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 0.6460 -0.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 1.1946 -2.0968 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0006 -0.0384 -2.8113 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8429 1.8240 -2.9805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 2.3428 -1.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 0.3337 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1297 0.0779 -2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 0.7220 -2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4014 2.7156 -2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1921 2.7015 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4619 1.5769 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6889 3.1076 -0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6015 0.3356 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8304 1.8996 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0236 0.9631 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5001 2.3034 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3001 0.9474 3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0658 -1.0946 3.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2701 -0.7897 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6331 -2.3180 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8052 -2.1573 2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6100 -2.7924 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1525 -0.4736 2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4867 0.9816 3.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3357 1.7103 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8982 1.4956 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1491 1.5473 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6947 -0.1267 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 -0.6735 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2176 0.9937 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -1.0088 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 0.6797 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 0.1221 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 -0.9550 -2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 -1.7248 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1865 -2.7354 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 -2.7265 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -3.2849 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0258 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.6609 2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -2.5840 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 -0.5850 2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 0.8834 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 0.1665 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -1.3569 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5589 0.2228 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 1.4903 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0228 -1.2459 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3982 -0.0955 2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8119 0.3132 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9686 1.6742 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3721 1.0308 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8998 1.0533 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5771 -0.8386 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2440 -1.4554 -0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0869 -2.7701 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6458 -1.8252 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5248 -0.3324 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9502 -2.0213 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5169 -2.3885 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5726 -1.2720 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6235 -0.6352 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3608 -0.7331 -2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6726 1.4480 -2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6970 1.5506 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8098 2.5660 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0030 0.9356 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0675 -0.0211 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9680 1.5311 -2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1041 1.1776 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3904 2.6414 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8375 1.1571 0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6759 -0.1947 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8028 2.4373 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9287 0.8439 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3781 -0.0069 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0376 1.4062 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7533 2.6725 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4034 1.1677 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5017 2.2677 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 -1.1592 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9043 0.1651 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 1.6755 -3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 2.7080 -0.9191 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 1 0 9 11 1 0 11 12 1 0 11 13 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 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 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 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 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 1 10 69 1 0 11 70 1 1 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 51130 1 0 52131 1 0 M END