HMDB0269092 RDKit 3D PG(20:4(5Z,8Z,11Z,13E)-OH(15S)/18:2(9Z,11Z)) 131130 0 0 0 0 0 0 0 0999 V2000 15.4617 2.5942 1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0914 1.9524 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8867 1.0759 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9238 -0.0989 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0143 0.1012 2.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8203 0.7862 3.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5909 0.0128 3.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5220 0.4706 2.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3907 1.7837 1.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3084 2.2184 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0779 1.4231 1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7240 1.2910 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 0.4858 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0248 0.3596 -1.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 1.6578 -2.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.4405 -1.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 1.7116 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 2.5364 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 3.6927 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 2.0829 -1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 2.8696 -0.3676 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3859 2.2886 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 1.0951 0.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6918 0.6001 1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 1.2958 3.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.5803 2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -1.6091 1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 -2.7874 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 -2.2644 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -2.7142 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 -3.7870 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2969 -5.0300 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0981 -5.3957 0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5616 -4.7148 1.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0553 -4.6347 2.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7826 -3.5729 2.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2590 -2.2346 2.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0763 -1.1808 2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 0.1523 2.3262 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3846 0.4913 3.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3171 1.1969 1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6141 1.0267 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4587 -0.1286 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8668 -0.0298 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6159 -1.2731 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 3.0998 -1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 1.9005 -1.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 2.0700 -2.5088 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3279 3.4792 -3.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3859 1.6509 -1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2679 1.0346 -3.8313 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 -0.1849 -3.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9539 -1.1304 -4.5994 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7736 -0.6858 -5.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 -1.5364 -5.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 -0.4246 -5.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3438 2.0524 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7704 3.6689 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6345 2.6875 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9702 1.4164 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8129 2.7965 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7622 0.6666 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0191 1.7591 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8575 -0.6882 0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1071 -0.8350 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9744 -0.9556 3.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9899 0.4722 2.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0798 0.8039 4.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6699 1.8143 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5407 -1.0184 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 -0.2248 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2447 2.4935 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3483 3.2452 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0946 0.4666 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2581 2.0627 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 0.7148 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 2.3004 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 -0.5554 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 0.7962 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -0.2449 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 -0.2603 -1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 2.2526 -2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3843 1.4043 -3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 2.7572 -0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 3.4312 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.7768 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.5532 -2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 3.8512 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5278 1.9316 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 3.0018 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 -0.1724 2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5009 -1.0204 3.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 -2.0860 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -1.2477 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1296 -3.5902 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -3.0665 2.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 -1.4488 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7218 -2.2032 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 -4.0247 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8396 -3.4007 -1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1142 -5.7850 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5483 -6.4340 0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1504 -3.7643 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 -5.4419 2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5915 -5.6012 1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8750 -3.6943 2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2194 -2.0330 2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1380 -1.3381 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4307 0.1506 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9802 1.2347 3.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7749 2.1808 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2800 1.2584 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6105 0.8658 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9653 1.9893 -0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0738 -1.1251 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6763 -0.1008 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7659 0.0775 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4065 0.8351 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3227 -2.1099 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7185 -1.1465 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3438 -1.5782 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 3.6069 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 3.7170 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2663 1.6632 -1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 0.0587 -3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 -0.6414 -2.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4234 -2.0637 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5562 -1.0812 -6.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 -1.8846 -4.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -2.3400 -5.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -0.5383 -6.0439 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 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 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 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 6 69 1 0 7 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 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 1 22 89 1 0 22 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 29 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 6 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 52125 1 0 52126 1 0 53127 1 1 54128 1 0 55129 1 0 55130 1 0 56131 1 0 M END