HMDB0269968 RDKit 3D PG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 131130 0 0 0 0 0 0 0 0999 V2000 1.0956 3.7009 6.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 3.8825 5.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 4.4289 3.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 5.5684 3.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8967 6.3788 3.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 7.7356 3.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 5.9098 3.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 6.0952 1.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 5.0650 1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 5.3201 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8924 4.3889 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0043 2.9290 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 2.2802 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 1.6102 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 1.3450 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 1.9649 0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 1.2764 1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -0.2067 1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -0.7863 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 -2.2556 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -2.7375 1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -2.0171 2.9767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -4.0885 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -4.4614 3.4673 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4581 -4.7558 3.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9855 -3.5643 2.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9047 -3.5070 1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -4.5406 0.7811 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 -2.3370 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1906 -2.6715 -0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2968 -1.4544 -1.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 -1.7907 -3.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -1.4194 -3.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 -0.6702 -3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 0.6080 -4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 0.9345 -4.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -0.0140 -4.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -0.1193 -6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2522 0.1413 -6.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 0.5419 -5.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 -0.5486 -5.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 -0.2655 -5.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1441 1.0611 -6.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 1.2414 -4.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9221 2.5060 -4.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7345 2.7895 -6.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4506 4.1449 -5.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -5.5899 3.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 -6.1014 5.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -7.3418 5.3562 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4422 -7.5802 4.0237 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -8.7479 5.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -6.8984 6.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 -6.4274 5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3143 -6.0143 6.6953 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8766 -4.9896 7.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4296 -5.3322 5.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 -6.1631 4.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 4.6474 6.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 2.9571 5.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 3.2296 7.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 4.3499 5.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 2.8212 4.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 3.8528 3.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 5.9165 2.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 6.3080 5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 8.0558 3.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0762 6.4702 3.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 4.8491 3.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 7.0738 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 4.0773 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 6.3646 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 4.7134 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 2.6302 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 2.7954 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8506 2.3914 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1719 1.1579 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 1.7724 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 0.2678 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 3.0420 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 1.8026 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3646 2.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4995 -0.7284 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -0.4420 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4817 -0.3739 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 -2.5177 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 -2.8015 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 -3.6133 4.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -4.6776 4.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 -5.6635 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 -2.0472 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 -1.4826 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 -3.3256 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1062 -3.3250 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 -1.0023 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5767 -0.7229 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 -2.3575 -3.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -1.6943 -5.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 -0.6181 -2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 -1.3896 -3.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 1.4053 -4.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 1.9500 -5.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 0.0306 -4.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 -1.0717 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -0.4058 -7.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 0.0757 -7.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 0.5836 -4.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 1.5056 -5.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 -1.5952 -5.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 -1.1112 -5.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 1.9091 -6.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 0.9154 -6.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7203 0.9976 -3.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9117 0.3960 -5.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5961 2.6307 -4.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1771 3.3516 -4.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5513 2.0402 -6.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1924 2.9175 -7.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5102 4.0786 -6.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4611 4.3755 -4.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9644 4.9427 -6.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 -6.4900 3.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.2128 3.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -9.1530 6.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 -5.5243 5.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6288 -7.1891 5.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 -6.8124 7.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -4.1659 7.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 -4.9242 6.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -4.4343 5.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2033 -5.7172 4.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 1 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 0 54125 1 0 54126 1 0 55127 1 1 56128 1 0 57129 1 0 57130 1 0 58131 1 0 M END