HMDB0287708 RDKit 3D PC(20:4(5Z,8Z,11Z,13E)+=O(15)/20:5(5Z,8Z,11Z,14Z,17Z)) 135134 0 0 0 0 0 0 0 0999 V2000 3.8862 2.1291 -6.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7284 2.0329 -7.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 0.7022 -8.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -0.1605 -8.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 0.0765 -7.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4318 -0.9309 -6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 -1.8137 -6.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -1.9236 -7.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0021 -1.7374 -6.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -1.3967 -5.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 -1.0895 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2597 0.3095 -4.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8923 0.4893 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2565 -0.6306 -2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 -0.6493 -1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2802 -0.4918 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 -0.2819 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0513 1.0955 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 2.1428 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 2.1096 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6039 1.6256 1.4986 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 2.5315 -0.4493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 2.4889 -0.0607 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9381 3.7912 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 4.8207 0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 6.0797 0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 6.2467 -0.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 7.2213 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 7.2215 2.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2543 5.9266 3.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 5.9363 4.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 5.0488 5.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 3.8367 4.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 2.6025 5.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 1.6912 5.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 1.8310 5.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 1.8032 6.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0223 0.8710 7.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -0.1895 6.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 -1.0875 6.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 -2.1584 5.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 -2.9900 6.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -2.2408 4.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5093 -3.4459 3.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 -4.7319 4.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 -5.8968 3.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 -5.8074 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 1.3568 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 0.1362 -0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -1.1602 -0.7609 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0411 -0.9004 -0.3253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 -1.3249 -2.4144 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.9237 -2.5698 0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 -3.6410 -0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 -4.8982 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 -5.3137 0.8490 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3562 -5.5101 2.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -6.5900 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -4.3720 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8091 1.7568 -7.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 1.4615 -5.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 3.1729 -6.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 2.8294 -8.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8499 2.3285 -7.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.3554 -8.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -1.1519 -8.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 1.0774 -7.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 0.0264 -8.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 -0.9486 -5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -2.5691 -5.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -3.0308 -7.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 -1.3551 -8.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -1.9227 -7.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6919 -1.3207 -5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -0.9144 -4.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8543 -1.8171 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9964 1.1471 -4.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1574 1.5382 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 -1.5884 -2.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 -0.6831 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 -0.8027 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4031 -0.5190 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8884 -1.0634 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 -0.2270 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5953 1.1821 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1385 1.1731 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8153 3.1565 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 1.8385 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 2.1893 1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 4.1328 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 3.7182 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 7.2157 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 8.1682 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 8.0876 3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 7.2851 2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 5.1406 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 6.0156 3.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 6.8060 5.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 5.1317 6.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 3.8333 3.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 3.9119 4.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 2.4644 5.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 0.7621 6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 0.9475 4.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7438 2.6946 4.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 2.5669 7.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4978 0.9127 8.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 -0.3152 5.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7813 -1.0334 7.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 -2.2162 4.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 -1.3098 3.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0618 -3.4341 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6133 -3.4636 3.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -4.7603 4.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 -4.8235 5.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 -5.9555 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 -6.8334 3.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5551 -5.1960 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -5.2833 1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 -6.7973 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 1.4855 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9205 1.3498 -1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 -3.7588 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 -3.3664 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -4.7443 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -5.7062 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 -4.5516 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -5.9969 2.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 -6.2118 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -6.9046 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -7.3384 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 -6.4900 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -4.9357 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -3.5823 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -3.9815 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 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 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 57127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 M CHG 2 52 -1 56 1 M END