HMDB0269298 RDKit 3D PG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/18:3(6Z,9Z,12Z)) 129128 0 0 0 0 0 0 0 0999 V2000 10.6482 6.0882 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9236 4.6241 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4025 4.3630 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 2.9305 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 1.9433 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2409 0.5575 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4686 -0.3766 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0660 -0.2812 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3238 0.9575 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 1.1176 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 0.0966 1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -0.4567 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5444 -0.2095 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 0.7001 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 1.7568 -0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 1.1514 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 0.3247 -2.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4666 -0.1683 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 0.1632 -2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -0.9476 -0.7933 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2188 -1.4486 -0.5579 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8659 -0.8758 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1172 -1.5167 0.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 -1.3276 1.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -0.4728 2.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -2.1092 1.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -2.9443 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3251 -2.1262 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5213 -1.2783 -0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5367 0.0295 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3512 0.8591 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1119 1.8138 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 2.0688 1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0136 1.4714 1.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0254 2.5257 1.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2266 2.4874 1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 1.3872 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1009 1.8865 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3088 1.8133 -1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4196 1.2251 -0.5895 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1818 -0.1048 -0.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1421 2.0494 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8324 3.2702 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0029 4.3387 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9381 4.8731 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -2.9385 -0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 -3.2384 0.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -4.9109 0.9591 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7630 -5.3778 0.8951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -5.3064 2.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6281 -5.6577 -0.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -6.5966 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -7.2813 -1.9803 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7914 -7.9274 -1.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 -8.3134 -2.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6858 -9.0084 -3.6613 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7324 6.6422 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 6.1335 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3151 6.4293 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2761 4.0310 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6383 4.4154 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 5.0259 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5739 4.5164 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7948 2.7193 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4778 2.7188 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3722 2.1642 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8973 2.1516 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3196 0.2342 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 -1.4000 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 -1.1773 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0477 -0.5791 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6306 1.8258 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 2.1527 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 0.5558 2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 -0.7138 1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0887 -1.2316 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -0.7535 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 1.2119 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 0.0742 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 2.2697 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6298 2.4711 -1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 2.0092 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 0.5858 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 -0.5601 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 0.8843 -2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -1.1923 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 -1.1163 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 0.2129 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 -2.8294 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -1.4721 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -3.5808 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2347 -3.6382 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 -1.6651 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5052 -2.9017 -1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5037 -1.8041 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5483 0.5385 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4302 0.2025 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3172 1.4312 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 2.4717 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3661 2.8882 1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8003 1.1362 2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3511 0.5679 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7132 3.4069 2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8519 3.3757 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7008 0.9681 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0919 0.5393 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 2.3309 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4271 2.2129 -2.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2272 1.0159 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9385 -0.6008 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9546 1.3831 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5483 2.3455 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4035 3.6872 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6348 3.0033 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5994 4.0762 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7298 5.2035 -0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0341 4.5177 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9226 4.6441 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0155 5.9755 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 -3.3490 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -3.4408 -1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 -6.0866 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -7.3456 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -5.9981 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -6.5994 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -8.2647 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4777 -9.0565 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -7.7756 -3.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -9.8979 -3.2811 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 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 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 6 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 6 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 52123 1 0 52124 1 0 53125 1 6 54126 1 0 55127 1 0 55128 1 0 56129 1 0 M END