HMDB0265670 RDKit 3D PA(22:1(13Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 134133 0 0 0 0 0 0 0 0999 V2000 15.3963 2.6160 -3.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9936 1.1698 -3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4212 0.6811 -1.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5074 0.8525 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2533 0.5061 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9169 -0.8655 0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7020 -1.5294 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 -0.8136 0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3092 -1.6186 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3626 -2.1201 1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 -1.9244 2.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1103 -1.2075 2.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7786 -1.7923 2.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 -2.1502 1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9951 -1.0341 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 -1.5586 -0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 -2.1280 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 -1.0768 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 0.0577 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 1.0718 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 0.4831 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 -0.0811 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 -1.1833 -1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 0.6452 -1.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 0.1125 -2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 0.9972 -2.6631 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8037 2.3280 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 3.0373 -2.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 4.5245 -2.7490 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1100 4.7408 -4.1421 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 5.7839 -1.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 4.5041 -2.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1081 1.2658 -1.5777 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4298 0.8115 -1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 0.1546 -2.5553 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3126 1.1177 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 0.0604 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 0.4812 1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -0.4847 2.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9259 -1.2426 3.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3179 -1.3741 2.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 -0.6317 1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8495 0.2837 2.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4319 0.6587 3.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8114 0.4479 3.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7366 -0.1494 2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5758 -0.7450 1.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6252 -1.3232 1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4906 -1.9349 -0.2494 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.3473 -3.0415 -0.3703 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5439 -1.0731 -1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7670 -0.2845 -1.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1623 0.7360 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4548 1.4259 -1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5074 0.3359 -1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4400 2.6393 -2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6867 3.1318 -2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3461 3.1470 -4.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7954 0.5017 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1615 1.0934 -3.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0699 -0.3251 -2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5439 1.3154 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4534 0.3167 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7867 1.9600 -0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2456 0.7412 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5778 1.2769 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7927 -1.5173 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0070 -1.0037 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6666 -1.9146 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6140 -2.4943 1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3342 -0.4455 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 0.1372 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 -1.8390 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 -2.7207 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2468 -2.9636 2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 -1.4193 2.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 -0.8503 4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1628 -0.1841 2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0383 -1.0812 3.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6949 -2.7102 3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0674 -2.4713 1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 -3.0711 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0008 -0.6846 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4578 -0.1650 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.7503 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9530 -2.3790 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 -2.4315 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 -3.0387 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -1.5456 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4752 -0.6299 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3162 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 0.5634 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4094 1.4248 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 1.9348 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 1.3430 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -0.2321 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -0.1357 -3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -0.8587 -1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 0.4375 -3.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 2.9551 -3.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 2.2408 -4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 6.4242 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 4.5406 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3543 1.1679 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1105 2.1269 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 0.0090 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5065 -0.9373 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 1.4763 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0753 0.7401 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9934 -0.5829 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6125 -1.9401 4.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4466 -2.5057 2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9945 -1.3157 3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5554 -0.8448 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1421 0.7876 1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3239 1.8368 3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7745 0.3929 4.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1641 0.8471 4.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7480 -0.1827 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6748 -0.7875 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5507 -1.3328 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4546 -2.4171 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5889 -3.1937 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2842 -1.7290 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6769 -0.3381 -1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7589 0.1790 -2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6175 -1.0353 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3709 0.3449 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4188 1.5857 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2183 1.8450 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7691 2.2261 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2453 -0.5409 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4749 0.7550 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5349 -0.0068 -2.3539 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 1 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 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 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 31102 1 0 32103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 1 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 55134 1 0 M END