HMDB0262692 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/10:0) 98 97 0 0 0 0 0 0 0 0999 V2000 11.5641 -1.4344 -2.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4554 -0.0759 -3.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 0.2590 -4.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 0.3569 -3.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5964 -0.8694 -2.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2975 -0.7363 -1.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3938 0.3431 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 0.4281 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8892 0.7111 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 0.7154 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1316 0.5330 1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.8929 0.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 0.8470 1.3530 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5003 -0.2099 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 -0.2957 2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 -0.7300 3.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4606 -1.0377 3.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -0.8449 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0326 -2.2931 4.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -2.5313 3.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 -3.8657 3.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 -4.1710 3.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9334 -3.3203 3.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 -1.8919 3.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -1.0148 3.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 -1.3385 1.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4375 -0.7715 2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 0.1174 1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3149 0.6465 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9128 1.5705 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3472 2.1568 -1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0631 3.0661 -2.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0919 1.8344 -2.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 0.5792 -3.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6269 0.0983 -4.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0591 -0.1964 -4.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0867 0.8352 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 2.1821 1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 3.2017 1.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 4.6693 1.8731 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5237 4.4329 2.1008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 5.4680 3.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 5.5835 0.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8163 -2.1127 -3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5706 -1.8813 -3.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5956 -1.3654 -1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2732 0.0023 -4.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7124 0.7255 -2.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0139 -0.5403 -4.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2731 1.1886 -4.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 0.7227 -3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 1.1731 -2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 -1.1621 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4524 -1.7533 -3.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -0.5633 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 -1.7293 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 0.0893 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6413 1.3299 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 -0.4905 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3399 1.2540 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 -0.1401 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8562 1.6944 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 0.6785 2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 0.0449 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9516 -1.2286 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 -0.1687 4.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 -0.5607 5.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5699 -2.2886 5.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -2.9949 4.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 -1.6775 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 -2.5400 2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 -4.7383 3.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 -5.2633 3.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6071 -3.7514 4.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6093 -3.5107 2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2124 -1.5367 4.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1131 0.0461 3.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 -0.7652 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1049 -2.3630 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0319 -1.1053 3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9916 0.5197 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3316 0.3783 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9164 1.8653 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 1.8227 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7074 2.7234 -2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0396 -0.3030 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7614 0.4218 -3.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1044 -0.9156 -4.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3315 0.7180 -5.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2600 -0.9922 -3.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3346 -0.7953 -5.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5207 0.9450 -3.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0175 0.6010 -4.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 1.8379 -4.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 2.1633 2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 2.3841 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 4.9583 3.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 5.0497 -0.2750 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 13 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 13 63 1 1 14 64 1 0 14 65 1 0 18 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 0 22 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 30 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 42 97 1 0 43 98 1 0 M END