HMDB0264624 RDKit 3D PA(20:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 130129 0 0 0 0 0 0 0 0999 V2000 -14.1758 -4.3731 2.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5810 -3.3646 3.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1249 -1.9761 2.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6534 -1.9233 2.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1337 -0.5326 2.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7043 -0.0074 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4100 1.3302 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1795 1.9785 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0880 2.2556 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2759 1.2891 1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5304 0.2235 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4095 0.5395 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7334 1.3057 -1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7159 1.5129 -2.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 2.1034 -1.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4734 1.1996 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 1.8975 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 2.4675 -2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 1.4724 -3.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 0.4563 -2.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.5386 -3.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 0.5314 -1.4744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 -0.4191 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 -0.1713 -1.8402 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7631 0.2988 -3.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 1.4509 -3.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.7430 -5.2077 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3689 0.8511 -6.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 3.3529 -5.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 1.4129 -5.6795 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -1.2952 -1.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 -1.2562 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9483 -0.2191 -0.2692 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5245 -2.5182 -0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3534 -2.6188 -2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4459 -1.6237 -2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0568 -0.2170 -2.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 0.6573 -1.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7589 0.4293 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 1.4465 -0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 1.2436 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7737 0.0721 -1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2263 -1.2605 -1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 -2.2434 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8204 -2.1556 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3942 -2.4837 1.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4618 -1.7375 2.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0056 -0.3828 2.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 -0.1691 3.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1402 -0.3833 4.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2502 0.4929 5.6197 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8007 0.4989 5.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7005 1.8356 5.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8551 -3.8810 1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3424 -5.0045 2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0632 -5.0221 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6712 -3.3919 3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0993 -3.5883 4.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5466 -1.2483 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6241 -1.7896 1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2747 -2.6236 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1546 -2.1754 3.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0170 -0.7593 1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 0.1149 3.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8386 -0.2309 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3590 -0.7415 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9547 2.0543 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2178 1.5288 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5173 3.0495 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7934 1.6122 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4970 3.1814 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6348 2.8348 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7464 0.9631 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4116 1.9638 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1493 -0.5551 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0208 -0.3790 1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8886 -0.3999 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6571 1.1711 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6457 0.8881 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0032 2.3573 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5854 0.5537 -2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2204 2.2170 -2.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 2.5494 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5198 3.0404 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2228 0.3169 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8613 0.7835 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 2.6342 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 1.0896 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 2.9487 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1471 3.3238 -2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 0.9144 -3.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 2.0510 -3.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 -0.4905 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -1.4362 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 0.6945 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 0.5594 -3.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -0.5148 -3.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 3.5317 -6.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 1.8729 -5.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -2.6335 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8009 -3.3569 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6324 -2.6103 -2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 -3.6612 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3068 -1.8511 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 -1.8485 -3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.1048 -2.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2546 1.6909 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 0.7216 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1285 -0.5702 -0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 2.5338 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6354 2.2210 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7956 0.1429 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1379 0.2113 -2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3713 -1.5238 -2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1619 -3.2379 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5602 -2.9841 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3858 -1.2496 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9669 -3.4976 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1088 -2.1522 3.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3012 -0.0534 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1547 0.3171 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5024 0.9211 3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1101 -0.7036 2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 -1.4670 5.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1895 -0.2017 5.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4268 0.3127 6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4187 -0.4190 4.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5062 1.3928 4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 0.6582 6.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4708 1.9662 6.0566 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 1 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 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 24 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 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 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 30 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 1 52127 1 0 52128 1 0 52129 1 0 53130 1 0 M END