HMDB0267519 RDKit 3D PA(i-14:0/20:3(5Z,11Z,14Z)-O(8,9)) 112112 0 0 0 0 0 0 0 0999 V2000 -13.2737 -4.8967 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5096 -3.7081 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7051 -3.1261 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8734 -1.9467 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7591 -1.9248 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0046 -2.1010 -1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6865 -1.1635 -2.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0682 0.1348 -2.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8136 0.2186 -2.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6542 0.4076 -2.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4505 0.5593 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8557 1.9422 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 3.0271 -1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5045 2.8140 -1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 3.8178 -1.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 3.1633 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 3.4005 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 4.3321 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 3.7468 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 3.2303 2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 2.1057 1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 1.0588 1.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 2.1427 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.1165 0.9941 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2070 0.7790 1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -0.1813 1.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 -1.5022 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 -1.9438 1.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -2.3560 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8957 -2.6560 1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5939 -1.4545 2.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3475 -0.6896 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 0.5208 1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 0.4439 2.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3434 -0.2491 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3412 0.1769 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0308 0.0143 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -1.4248 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 -2.2160 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3023 -1.6620 -1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 -3.6283 -0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 1.4770 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 2.6016 -0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 2.9136 -2.1543 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6614 2.0543 -3.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 4.5229 -2.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 2.5646 -2.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2072 -4.4577 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5469 -5.5915 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6460 -5.3461 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3073 -3.0411 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9418 -4.2050 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0947 -4.0022 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4373 -2.9577 1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5847 -1.0708 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4242 -1.6705 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1312 -1.0236 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0521 -2.7698 0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4399 -2.9944 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9070 -1.3697 -3.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7597 0.8961 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0351 0.4859 -1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8208 0.1192 -4.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7171 0.4602 -3.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6105 -0.1482 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2616 0.3243 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 2.0992 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7582 2.4747 -2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 4.2214 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 4.6738 -1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 2.4228 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 2.8699 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 5.1051 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7152 4.9144 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 4.4914 2.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 2.9110 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9434 2.8833 3.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 4.0428 2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 0.2536 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 1.7172 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 0.5195 2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.7907 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 -3.2964 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -3.3905 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 -3.1869 2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 -0.7926 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3207 -1.8421 2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 -0.2934 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9018 -1.3584 0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 1.1492 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1723 1.1718 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5609 0.1690 3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3433 1.5441 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8873 -0.0958 3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2664 -1.3720 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2674 -0.4552 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7275 1.2176 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9733 0.3611 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2418 0.6057 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0723 -1.9465 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6569 -1.4099 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3275 -2.3144 0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0180 -1.4646 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7755 -0.7790 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0941 -2.4512 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7941 -3.7892 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3859 -3.7555 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3182 -4.3795 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 1.6296 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 0.5820 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 4.6599 -2.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7113 3.3797 -2.2250 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 39 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 14 12 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 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 6 25 80 1 0 25 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 46111 1 0 47112 1 0 M END