HMDB0282860 RDKit 3D PS(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/20:5(5Z,8Z,11Z,14Z,17Z)) 133133 0 0 0 0 0 0 0 0999 V2000 -3.2744 -1.5297 -3.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 -0.9467 -4.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 0.5036 -4.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 1.1321 -4.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.3883 -4.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 0.8628 -6.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 1.4168 -6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 1.7196 -5.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 1.4334 -4.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 2.3284 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 3.7263 -3.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 4.6472 -2.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 4.4839 -2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 3.2585 -1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 3.5134 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 2.8031 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 1.5967 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8635 0.4762 1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -0.8182 1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -0.8335 1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 -0.2072 1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -1.4879 2.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 -1.4382 3.1137 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4418 -2.8821 2.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 -3.1381 1.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 -4.2634 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8248 -5.1864 1.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -4.2897 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -5.2729 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 -4.8650 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 -4.4534 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 -4.3077 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -5.1732 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -4.7160 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 -3.2355 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 -2.9139 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9156 -2.2987 1.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7125 -1.8152 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 -0.3400 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9518 0.2606 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2352 -0.4278 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1177 0.0567 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3163 1.5362 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6554 0.9786 -1.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 1.3037 -3.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6521 0.1256 -3.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2090 0.0625 -5.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4603 1.1004 -5.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0864 0.5910 -6.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -0.9934 4.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 -0.9852 4.5607 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0806 -0.4670 6.1191 P 0 0 0 0 0 5 0 0 0 0 0 0 7.9062 -1.5204 6.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6793 -0.2250 7.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8902 1.0261 6.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 1.9800 5.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 3.3423 5.5731 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0893 3.6649 6.9276 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 4.3240 5.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 4.2474 3.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 5.3590 5.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 -0.9957 -2.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 -1.3734 -3.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -2.6151 -3.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -1.5322 -5.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 -1.1114 -5.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 1.1377 -4.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 2.2200 -4.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 -0.6811 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 0.4683 -4.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 0.7231 -7.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 1.7227 -7.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 2.7526 -5.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 1.1034 -5.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 0.3719 -3.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8772 1.9353 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 4.0743 -2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 3.9869 -4.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 5.7632 -3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 5.4013 -1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7401 2.3331 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 3.1986 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 4.3894 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 3.1122 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 1.7593 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5186 1.1823 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 0.8595 2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 0.3607 1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 -1.5544 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.2274 0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3694 -0.8284 2.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 -2.7873 2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0045 -3.5667 3.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -3.3206 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -4.5902 -1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 -6.2526 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -5.4243 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.9205 1.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 -4.1871 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 -4.7983 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2902 -3.2961 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 -6.2486 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -5.3677 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -2.9099 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 -2.7223 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 -3.2499 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -2.0967 2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6508 -2.3622 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 -1.9970 -0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 0.1784 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 1.3710 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2728 -1.4970 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7917 -0.0332 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1073 -0.4135 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5722 1.2951 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4801 1.6829 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9701 2.1672 -3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2088 -0.7078 -3.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 -0.8828 -5.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3904 2.0755 -5.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0292 1.2701 -6.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1615 0.1450 -7.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3827 1.4532 -6.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7683 -0.2055 -5.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9047 0.0235 4.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -1.6792 5.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.9146 7.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1059 1.9757 6.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 1.7189 4.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 3.3293 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0353 4.6959 7.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 3.2769 7.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6305 6.0913 5.6649 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 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 59 61 1 0 44 42 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 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 49124 1 0 50125 1 0 50126 1 0 54127 1 0 56128 1 0 56129 1 0 57130 1 6 58131 1 0 58132 1 0 61133 1 0 M END