HMDB0266817 RDKit 3D PA(a-13:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 109108 0 0 0 0 0 0 0 0999 V2000 9.9468 3.5097 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 2.5115 1.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2997 1.1040 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6758 0.8096 1.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1832 -0.5886 1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 -1.5455 2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6394 -2.4890 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5539 -2.9523 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2136 -2.3891 -0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6276 -1.9998 -2.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 -2.0623 -2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 -0.7943 -2.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -0.2982 -3.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 0.2775 -1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 0.2937 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6831 -0.7512 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 -0.8098 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 -1.9244 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 -1.3079 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 -0.5213 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 0.0475 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6174 0.8691 -1.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -0.3016 -0.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 0.1957 0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7163 0.8996 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 1.3395 1.2534 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5482 2.2416 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 2.7421 -0.5162 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0096 2.6349 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6479 1.8420 1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1129 2.1872 1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7836 1.8627 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2695 2.1513 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0180 1.3713 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9210 -0.0977 1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3969 -0.7766 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8245 -0.6762 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6883 -1.2009 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3349 0.5624 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6314 0.8549 -2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 -0.9408 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -1.4127 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -2.6510 -2.0422 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5716 -3.1263 -3.4086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -3.9318 -0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6791 -2.1197 -2.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 3.1642 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4544 4.4982 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8634 3.5377 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 2.8198 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 2.6011 2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2795 1.1571 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5347 0.4254 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 1.5864 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6906 0.8526 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1949 -0.6513 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4030 -0.6364 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 -1.3966 3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 -3.0857 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8426 -4.0963 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4478 -3.0969 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3473 -2.3045 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2834 -1.5781 -2.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 -2.6563 -3.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6027 -2.7419 -1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4609 -0.9925 -3.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0113 0.6977 -3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2511 1.1092 -1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 1.0976 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6422 -1.5421 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 -0.0596 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 -2.5391 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 -2.5734 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 -2.0950 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 -0.5969 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -1.1715 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 0.3356 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 0.9288 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 1.7904 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 0.2685 2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1468 3.7156 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4126 2.2652 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1321 2.0622 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5396 0.7492 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5244 1.6403 2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1435 3.2989 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5287 0.8366 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3707 2.5951 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3493 3.2407 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6500 2.0992 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0367 1.7625 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5345 1.6379 2.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4660 -0.5231 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8422 -0.4019 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7362 -0.5567 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1970 -1.8934 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9167 -1.4722 -1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5663 -1.7057 0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0126 -0.3831 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1583 -1.9787 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4090 0.3423 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3927 1.4491 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3811 1.9384 -2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7097 0.2852 -2.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2896 0.6570 -3.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -0.5687 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 -1.7589 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 -3.8945 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 -1.1330 -2.1008 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 1 0 12 14 1 0 14 15 2 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 37 39 1 0 39 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 6 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END