HMDB0285262 RDKit 3D PE(P-16:0/PGE1) 129129 0 0 0 0 0 0 0 0999 V2000 13.0441 1.1891 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1170 2.4339 -1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6191 3.6374 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1523 3.3709 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5941 4.5262 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 4.4412 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0845 4.4125 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 3.3572 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8751 1.9438 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7687 0.9923 -1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 1.2489 -2.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 1.1070 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1199 -0.3051 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 -0.5909 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6897 -0.2920 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9103 -1.2398 -1.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 -2.5661 -1.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 -3.4175 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -3.1083 0.6456 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3032 -4.2539 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -4.1990 2.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7085 -5.5131 2.6878 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9869 -5.0187 3.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8814 -6.5259 3.7783 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 -6.3455 1.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 -7.5957 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 -8.1855 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -9.4875 -0.2438 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -1.8694 0.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -0.9641 1.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 -1.3009 2.4684 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 0.3696 2.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 0.1698 3.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 -0.7606 2.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -0.4127 1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -0.0106 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 0.1919 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1266 1.2030 -0.0240 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6247 2.5726 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 2.9882 0.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8479 3.3904 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 2.8817 -0.7616 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4141 3.6522 -1.8909 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3035 1.4202 -0.9622 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4929 0.5893 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0044 -0.3049 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1735 -1.1782 -1.0573 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6836 -2.2702 -0.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2199 -0.4232 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6505 0.7670 -1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6979 1.6050 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0137 2.7556 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0634 3.6280 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2556 0.5288 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 0.6979 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8345 1.3788 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4152 2.3187 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1592 2.5847 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1969 3.8739 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6407 4.5355 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 3.1283 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1127 2.4534 0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2780 4.7423 1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7348 5.4911 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0269 5.3732 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 3.6023 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 5.4013 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 4.4627 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6039 3.4170 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 3.5571 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0647 1.8162 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8273 1.7224 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 1.2105 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7981 -0.0472 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 2.1958 -2.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 0.4362 -2.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 1.3380 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 1.8558 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -0.5370 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 -1.0257 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 -1.6678 0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 0.0419 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 0.7509 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 -0.9834 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -4.4918 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -3.5202 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 -3.1577 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -4.1390 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 -5.2121 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -6.6870 3.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -8.2924 2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3401 -7.5050 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 -8.2760 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -7.4835 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 -9.9428 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -10.0249 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5202 0.7808 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 1.0801 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 -0.2732 3.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 1.1654 3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -1.1968 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8673 -1.7414 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 -1.3230 1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0346 0.3730 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 0.9786 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3194 -0.7322 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 -0.7867 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 0.3978 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5727 0.8144 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6822 4.4707 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3195 3.0550 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8022 2.9683 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 3.4765 -2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0389 1.2234 -2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9274 0.7330 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5076 -0.4022 -2.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5940 -1.6092 -1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3516 -2.9757 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0989 -1.0506 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7618 -0.0552 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9598 0.4642 -2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7411 1.4067 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3042 2.0822 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5876 1.0340 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3311 2.2929 -2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0515 3.2925 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0572 3.2250 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9368 4.6796 -1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9590 3.5255 0.3635 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 19 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 39 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 44 38 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 18 85 1 0 18 86 1 0 19 87 1 1 20 88 1 0 20 89 1 0 24 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 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 1 41110 1 0 41111 1 0 42112 1 1 43113 1 0 44114 1 6 45115 1 0 46116 1 0 47117 1 6 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END