HMDB0008456 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)/P-18:0) 139138 0 0 0 0 0 0 0 0999 V2000 0.4845 5.1938 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 4.9472 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 3.6542 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 2.4063 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 2.0053 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4604 1.7855 1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 0.6383 2.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -0.6389 1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 -1.0802 2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 -1.2776 1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 -1.1045 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -2.4746 -0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 -3.0226 -1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 -2.2741 -1.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -2.5651 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 -3.5173 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 -4.6174 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -5.9410 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 -6.4668 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -5.9166 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -6.3211 -2.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 -4.9492 -0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5505 -4.4120 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6898 -3.2525 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -3.5867 1.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 -2.5879 2.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3437 -3.1425 3.9828 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3318 -3.0264 5.1347 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -4.7910 3.7822 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9655 -2.3167 4.4243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -3.2092 4.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 -2.4322 5.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -3.2662 5.4405 N 0 0 0 0 0 4 0 0 0 0 0 0 2.4366 -2.4064 6.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 -3.9027 4.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -4.2747 6.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 -2.0925 -0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 -1.6555 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -1.5215 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 -1.7545 -3.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 -0.4676 -4.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 -0.5480 -5.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -0.8571 -4.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 0.0381 -4.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 1.4392 -4.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3349 2.1160 -3.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 3.5106 -4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 3.9256 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 5.2929 -3.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4084 5.8008 -2.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3925 5.8746 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3139 4.6106 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 4.9235 1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2596 3.6393 2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3425 2.6513 1.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2387 5.1403 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 6.2853 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 4.6320 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 5.8216 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 5.0991 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8047 3.6116 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 3.7007 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 1.5727 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9127 2.4532 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 1.0829 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 2.7852 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 2.6515 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 0.6560 3.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -1.3818 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0545 -0.6122 0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -1.2558 3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 -1.6086 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.5466 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4341 -0.4945 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -2.9707 -0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0806 -4.0446 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8507 -1.1451 -1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -2.4353 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -1.8006 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -3.4507 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 -4.6730 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 -4.5475 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2636 -6.0050 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -6.6927 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 -7.5398 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4498 -6.7429 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3676 -5.1141 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6711 -4.0561 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7354 -2.9749 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 -3.8849 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4694 -4.4850 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 -3.9113 3.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 -3.7767 5.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 -1.8450 6.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -1.6832 4.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -2.2696 5.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -2.9137 6.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -1.4086 6.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 -3.8765 3.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1775 -4.9765 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -3.4627 4.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -4.9974 6.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -4.8180 6.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -3.7969 7.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -1.3963 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5376 -1.1519 -3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 -2.6112 -4.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -1.8913 -2.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 0.3477 -3.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 -0.2424 -4.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -1.3460 -5.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 0.3789 -5.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -1.9381 -4.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -0.9997 -5.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -0.4155 -4.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1737 0.2136 -3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 2.0241 -4.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.4060 -5.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 2.0970 -2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2656 1.4701 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 3.5296 -5.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8881 4.2214 -4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 3.1551 -3.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2067 3.8899 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 5.4317 -4.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 6.0172 -3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 5.2182 -2.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 6.8410 -2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3953 6.3459 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 6.5903 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 4.0245 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 3.9964 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 5.5371 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 5.4898 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 3.1575 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 3.9136 3.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3376 3.1054 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 1.9669 2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 1.9720 0.9109 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 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 36104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 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 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M CHG 2 29 -1 33 1 M END