HMDB0265886 RDKit 3D PA(22:4(7Z,10Z,13Z,16Z)/PGE2) 130130 0 0 0 0 0 0 0 0999 V2000 -16.5476 -0.1938 -2.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8500 0.5309 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5512 0.8278 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7951 1.5496 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4754 1.8464 1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7438 0.6110 1.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5518 0.3510 1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7470 1.2644 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5466 1.6280 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3209 1.4040 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7610 0.7795 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4923 0.3121 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5962 -0.9423 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9257 -2.0799 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9491 -2.6785 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6516 -2.8033 -1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0139 -2.3556 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9454 -1.3078 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 -0.8250 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 -1.8900 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5888 -2.6338 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 -1.8355 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 -2.5214 0.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -0.4740 0.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 0.2014 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -0.0511 1.1845 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1761 0.6406 2.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.2093 2.5805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 1.0782 3.9523 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1439 0.7768 4.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 2.7331 3.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 0.6025 5.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 0.4819 1.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -0.3472 1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 -1.5323 1.6969 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6426 0.0589 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 1.4840 0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 1.9087 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 1.7717 2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 0.9825 2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5356 0.1580 1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 0.6238 1.3975 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6913 0.4680 2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4919 1.0066 3.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7846 -0.5496 2.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 -0.2693 0.9581 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8663 -1.3328 0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7965 -0.1172 0.3763 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7648 0.5703 -0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8483 1.0416 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7956 1.7099 -2.8576 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6603 2.8260 -2.8911 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 0.8695 -4.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1404 0.0632 -4.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -1.0241 -3.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7524 -1.7013 -3.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8691 -0.6824 -3.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9268 -1.0947 -2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0259 0.4999 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4766 -0.5222 -2.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3559 1.4800 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4428 -0.1440 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9364 1.4599 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9836 -0.1087 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3386 2.4998 0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3757 0.9256 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8086 2.2884 2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9183 2.6339 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2920 -0.1051 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0813 -0.6054 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3626 2.1371 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5233 0.7628 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7204 2.1479 2.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5535 1.7760 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9819 1.5633 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0134 -0.0137 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0267 1.0372 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1740 -1.2047 -2.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7038 -2.9263 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5610 -1.8700 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3960 -3.0299 -2.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0698 -3.2665 -2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6901 -1.9603 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5028 -3.2532 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1631 -1.6829 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4396 -0.4330 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2028 -0.3823 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5985 -0.0470 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 -2.6683 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -1.4506 2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 -3.2892 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 -3.3666 1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 1.2688 -0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 -0.2717 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -1.1207 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 1.7352 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.3499 3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 2.9330 3.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1426 0.7319 5.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 -0.1088 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1894 -0.5742 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 1.6003 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 2.1833 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2135 3.0152 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 1.4362 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 2.3631 3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2193 0.9455 3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 -0.9007 1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 0.1203 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0012 1.7280 1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 -1.5808 2.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6205 -0.2649 3.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6943 0.6787 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8039 -1.2452 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2983 -1.1256 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8127 0.6825 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 0.9122 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7646 2.1876 -2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9708 2.8913 -3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7342 1.5550 -4.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0388 0.1651 -4.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0432 0.7346 -4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0034 -0.4636 -5.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 -1.7771 -3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6368 -0.7401 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5695 -2.1854 -4.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9910 -2.4542 -2.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0713 -0.3590 -4.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 -1.1253 -3.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6162 0.2088 -3.1863 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 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 24 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 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 48 42 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 97 1 0 31 98 1 0 32 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 6 45111 1 0 45112 1 0 46113 1 1 47114 1 0 48115 1 6 49116 1 0 50117 1 0 51118 1 6 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 57130 1 0 M END