HMDB0289065 RDKit 3D PC(18:1(12Z)-2OH(9,10)/DiMe(11,5)) 149149 0 0 0 0 0 0 0 0999 V2000 -2.3388 -0.7438 -4.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 0.6320 -5.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 1.7012 -4.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 3.0681 -5.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2378 3.2982 -5.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 4.5958 -6.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 5.4829 -6.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 5.2412 -5.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1866 5.2077 -5.6933 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3824 6.4864 -6.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 5.0370 -4.7891 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4876 5.0564 -5.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 3.8699 -3.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 3.5643 -2.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 4.6293 -1.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 4.2771 -0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 4.2290 -1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 3.8473 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 3.8419 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3368 3.3790 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 2.8519 1.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 3.4668 0.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2948 2.8835 1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0884 1.3790 1.3795 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1098 0.8472 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 1.3731 -0.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1377 0.7356 -1.9027 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.8882 1.9120 -2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2424 -0.1843 -0.9736 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.5216 -0.2410 -3.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 0.3404 -4.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3781 -0.4349 -5.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9106 -1.7767 -5.6277 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.3557 -1.7001 -5.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4145 -2.3364 -6.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5836 -2.6247 -4.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 0.7930 2.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 -0.0657 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4006 -0.1915 2.4976 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 -0.7560 4.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 -1.3697 5.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 -0.5790 5.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 0.2191 4.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 -0.3697 3.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 -1.3245 4.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -1.7307 2.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -2.6583 3.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0606 -3.9375 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -4.9231 3.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -4.4967 4.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4913 -4.0200 4.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 -3.7306 5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 -3.1769 5.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7338 -1.7507 5.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1124 -1.1852 5.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 -1.1337 4.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6411 -0.2463 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 -4.0327 6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2192 -3.8829 7.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.5155 6.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 -4.9715 6.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 -1.4845 -5.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 -1.0746 -4.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -0.7503 -4.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1025 0.7327 -6.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 0.6830 -6.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 1.4462 -3.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 1.6754 -3.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 3.8050 -4.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 3.2326 -5.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 3.0275 -5.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 2.5461 -6.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8547 4.8373 -7.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 6.4632 -6.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 4.4602 -4.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 6.2007 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 4.5107 -6.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 7.1464 -5.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 6.0189 -4.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 4.1277 -5.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 2.9539 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8.1511 0.4582 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -4.7517 8.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 -3.8685 7.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -2.9637 8.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0614 -4.1305 7.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 -5.8001 7.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -5.3901 6.4911 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 1 0 9 11 1 0 11 12 1 0 11 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 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 38 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 55 56 1 0 56 57 1 0 52 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 50 2 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 6 10 78 1 0 11 79 1 1 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 34104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 36112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 59144 1 0 59145 1 0 59146 1 0 61147 1 0 61148 1 0 61149 1 0 M CHG 2 29 -1 33 1 M END