HMDB0271067 RDKit 3D PG(i-12:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 117116 0 0 0 0 0 0 0 0999 V2000 6.0028 -4.5248 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5801 -3.2724 -2.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7923 -3.4708 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 -4.3567 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7715 -4.0008 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 -3.9535 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -2.9047 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 -1.6101 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 -1.3207 2.0052 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8074 -1.2857 1.6661 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 0.0041 2.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 1.1108 1.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 2.3966 2.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 3.5018 1.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2255 3.5097 0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 4.2066 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 5.2599 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 5.9136 -0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2329 5.8437 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 6.4736 -1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 5.8401 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 6.1197 0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 4.9210 -0.9063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 4.2755 0.0164 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6392 2.7917 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9512 2.0968 -1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3161 2.1689 -2.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 2.9276 -2.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 1.3184 -3.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 0.0507 -3.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.7959 -2.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 -2.0259 -2.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 -2.9908 -1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 -3.4915 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 -4.4671 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 -3.8798 1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -4.9779 2.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -4.3834 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 -6.1313 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 4.7023 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 4.4080 -1.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2691 4.8489 -1.6100 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4207 6.3279 -1.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8322 4.0439 -3.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2662 4.3441 -0.3462 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5055 3.9075 -0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2750 3.4901 0.4644 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5457 3.0315 0.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 2.3599 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2352 2.0060 2.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3193 -4.5989 -4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 -5.4627 -2.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8819 -4.4590 -3.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7842 -2.6955 -2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 -2.6233 -3.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6677 -3.7615 -2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 -2.4309 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7653 -4.4618 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5123 -5.4426 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9044 -4.7988 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1566 -3.0374 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -4.8948 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 -3.0346 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7665 -0.7861 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0597 -1.5171 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3273 -2.0774 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.2984 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 0.0617 3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 0.9331 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4584 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 4.4759 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 4.1105 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 2.5284 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 3.8622 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 5.7386 -1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2619 7.0299 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 5.5850 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 6.4541 -2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 4.8156 -2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6438 6.5126 -2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0607 7.5371 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4219 4.6553 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 2.4309 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3608 2.4390 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 1.8548 -4.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 1.0696 -3.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -0.5674 -4.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 0.2366 -3.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1477 -1.1236 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -0.2628 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 -1.6907 -2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 -2.5192 -3.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 -2.4925 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 -3.8568 -1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 -2.6526 -0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -4.0370 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 -4.7834 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -5.3834 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 -3.0409 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8651 -3.5424 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 -5.2692 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 -3.3861 3.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 -5.0689 4.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 -4.4035 3.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -5.7362 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 -6.6411 2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 -6.8429 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2121 5.8043 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8107 4.2783 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1161 3.5193 -3.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0991 4.7052 -1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4658 3.0502 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3756 4.3349 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9167 2.5761 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4951 1.4564 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4803 2.6344 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7114 1.4130 2.9020 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 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 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 37 39 1 0 24 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 1 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 44110 1 0 46111 1 0 46112 1 0 47113 1 1 48114 1 0 49115 1 0 49116 1 0 50117 1 0 M END