HMDB0263701 RDKit 3D PA(18:1(11Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 122121 0 0 0 0 0 0 0 0999 V2000 15.5151 -0.2140 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9554 0.0439 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2202 1.4616 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7171 1.8451 -2.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2176 1.7388 -2.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6022 2.6496 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7590 2.2607 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3074 0.9081 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 0.6358 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9886 1.7299 1.5244 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0875 2.1947 2.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9422 1.1479 2.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 2.1574 3.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 2.5365 3.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 2.0978 2.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 1.1436 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5412 -0.0395 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7184 -0.9683 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 -1.3368 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6884 -0.1510 -0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -0.6562 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -1.0628 -2.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2366 -0.6774 -0.7344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.1466 -1.2934 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0112 -0.0656 -1.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 -0.5404 -1.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3432 0.2491 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 1.4406 -1.6556 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 -0.2845 -2.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6051 -1.7888 -2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5183 -2.4704 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -2.3879 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8934 -2.9462 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8063 -2.5079 -1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3267 -1.1222 -1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0890 -0.7523 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2978 -1.6257 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2745 -1.5816 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5042 -1.1777 -1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1350 -0.7171 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6080 0.7275 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2468 1.1795 1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7730 2.5964 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7018 3.5867 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3267 4.9584 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 -2.4081 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -2.1987 0.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1669 -3.5712 1.5583 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6661 -3.6500 1.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -3.6064 3.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 -4.9202 0.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1113 -1.1464 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3090 0.6223 1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6225 -0.2827 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5550 -0.6530 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9189 -0.2846 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7876 2.1134 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3271 1.6620 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9762 2.9088 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 1.1822 -3.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9502 2.0727 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9016 0.6930 -2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9022 3.7038 -1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3882 3.0661 0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6465 0.0950 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1452 -0.3947 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5846 2.5354 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9155 3.0444 2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3112 0.4100 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 0.4950 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 2.6529 4.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9722 3.3377 4.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4074 3.0148 2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 1.6477 3.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7551 1.3896 0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 -0.2808 2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 -1.9128 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4345 -0.5219 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6642 -2.0083 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 -1.8189 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3069 0.4230 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 0.5093 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -1.4582 -2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 0.7390 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 0.3726 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6361 0.0661 -3.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 0.1848 -2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3365 -2.1661 -3.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -2.0191 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 -3.5617 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -2.1605 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1475 -2.9891 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 -1.3634 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8014 -4.0737 -0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4517 -2.8565 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4353 -2.8318 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7396 -3.1691 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1098 -1.0909 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6527 -0.3129 -1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4673 0.2787 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -0.7728 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7343 -1.2862 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9336 -2.6744 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9846 -1.8951 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1574 -1.1853 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5192 -0.7506 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0584 -1.3298 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7276 1.3536 -0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2829 0.7398 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4266 1.1634 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0029 0.4670 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2841 2.8670 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5205 2.6015 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9331 3.5456 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2705 3.3833 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9739 5.5437 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0113 5.5205 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4253 4.8958 0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -3.1428 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 -2.8959 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -3.1371 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -5.5879 0.5686 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 6 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 50121 1 0 51122 1 0 M END