HMDB0270209 RDKit 3D PG(PGD1/22:4(7Z,10Z,13Z,16Z)) 143143 0 0 0 0 0 0 0 0999 V2000 1.1284 9.8371 2.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 9.6555 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0956 9.9156 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 9.7732 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 8.3760 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 8.4513 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1061 7.6815 -2.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 6.6552 -2.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 6.8914 -4.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 6.0268 -5.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 4.7040 -5.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 3.7176 -5.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 2.7241 -4.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 2.2011 -3.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8597 2.8809 -2.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 2.3696 -2.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4929 1.0339 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 0.9718 -3.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3067 -0.4907 -3.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3871 -1.3588 -3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9734 -2.7797 -3.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -3.1647 -2.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1291 -3.0047 -1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 -3.6768 -1.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -3.9603 -0.3528 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2494 -2.9262 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 -3.1469 0.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 -2.3027 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -1.2991 1.2354 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 -2.4970 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 -1.2623 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.1701 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 1.1110 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 1.7410 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 3.0438 1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 2.8057 1.3272 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1117 4.2580 1.2595 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2164 5.1264 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 4.6032 2.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 3.2764 3.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 3.0070 3.7075 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 2.3369 2.6896 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 0.9736 2.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 -0.1079 2.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 -1.3829 2.9487 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8315 -1.6440 3.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 -2.5551 2.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 -3.8442 2.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -4.3441 3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 -5.6768 4.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 -6.2351 5.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 -5.3486 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 -5.5673 -0.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -7.0903 0.2934 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4191 -7.4023 1.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 -8.2383 -0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -7.1288 0.3248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -7.6334 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -7.5827 -0.6343 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4339 -8.1019 -1.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 -6.1450 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -5.4061 -1.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 8.8748 2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9876 10.6154 3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 10.1721 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 8.6240 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 10.4034 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 9.3230 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4683 10.9845 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 10.0241 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 10.5127 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 7.6900 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 8.2258 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 9.2126 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 7.7711 -3.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 6.4717 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7361 5.7069 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 7.8916 -4.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 6.3288 -6.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 4.6119 -5.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 4.3824 -4.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 3.8951 -6.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 2.1542 -5.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0863 2.2574 -2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 1.0866 -3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 3.8978 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6065 3.0129 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 0.5373 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7614 0.4075 -2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7032 1.3142 -4.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 1.5462 -2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3143 -0.5264 -3.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4278 -0.8389 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3446 -1.3959 -3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4009 -1.0769 -5.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9885 -2.7776 -4.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 -3.5091 -4.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -3.7520 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -1.9328 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 -2.9527 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7195 -2.8702 -0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9276 -3.3030 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -1.4870 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.9602 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 0.0036 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 -0.6077 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 1.8206 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 0.9632 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 1.9127 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 1.0253 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 3.6335 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 3.6075 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 2.2758 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0335 4.2319 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 5.7397 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6611 4.9415 3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 5.3539 2.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 2.6187 3.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 0.8048 4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 -0.0963 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7753 -1.2616 3.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 -1.2350 4.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6574 -2.7093 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 -2.3932 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 -4.6181 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 -3.7729 2.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.6734 4.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 -4.5134 3.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 -6.4165 3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -5.5345 4.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 -6.6010 5.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -7.0565 5.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 -5.4287 6.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8946 -5.5223 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -6.0668 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -7.8465 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0868 -7.0435 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0405 -8.6924 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 -8.1758 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -7.3962 -2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 -6.1206 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 -5.6976 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -4.6497 -1.7752 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 2 0 28 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 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 42 36 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 6 37114 1 6 38115 1 0 39116 1 0 39117 1 0 42118 1 1 43119 1 0 44120 1 0 45121 1 1 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 56136 1 0 58137 1 0 58138 1 0 59139 1 1 60140 1 0 61141 1 0 61142 1 0 62143 1 0 M END