HMDB0266610 RDKit 3D PA(20:4(5Z,7E,11Z,14Z)-OH(9)/8:0) 94 93 0 0 0 0 0 0 0 0999 V2000 13.7684 -0.7234 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 -1.2968 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3476 -0.5996 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1941 -0.8641 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9401 -0.2096 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 1.2536 1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0384 1.9569 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8942 1.2696 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 1.5457 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 2.0973 -1.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6185 2.5104 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4986 1.6674 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5513 2.0491 -3.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8579 0.2324 -1.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 -0.6055 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 -0.2692 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 -1.1999 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 -0.9989 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 0.4538 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 0.7624 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 0.0109 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 -0.6404 -0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 -0.0552 0.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 -0.8118 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7217 -0.7515 0.3123 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6406 -1.7665 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9965 -2.9996 -0.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0448 -4.0994 -1.1960 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1131 -4.4341 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 -3.3247 -2.5374 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2293 -5.5113 -1.6423 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 0.5012 0.4012 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7936 1.0633 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6878 0.4187 2.6246 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4159 2.4090 1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7747 2.2306 2.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4939 1.1944 1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8575 0.9178 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5923 -0.1081 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8868 0.1130 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7521 0.2229 -1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4656 0.2579 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9008 -1.4059 0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7184 -0.6759 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 -2.3808 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7127 -1.0598 -2.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 0.4719 -0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -1.0065 -0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1059 -0.5208 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0973 -1.9461 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0524 -0.7532 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0464 -0.3952 2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7733 1.8286 1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 3.0595 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9135 0.1686 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0017 1.5901 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 1.2798 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8832 2.2854 -3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 3.5585 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 2.3801 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 1.9799 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6326 1.2910 -3.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -0.0751 -2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 -1.6382 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 0.7145 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 -2.2006 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.2157 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -1.6638 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 1.0990 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 0.6901 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 0.4909 2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 1.8569 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0189 -1.8831 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2879 -0.5662 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -1.1453 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5552 -1.9092 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9832 -1.4094 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 -3.9580 -3.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4411 -5.5707 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6022 2.7735 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8082 3.1687 2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6651 1.7768 3.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3570 3.1643 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5249 1.6580 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9335 0.2602 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3916 1.9043 1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7951 0.5827 2.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0553 -1.1100 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5777 -0.3066 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4947 1.0561 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5320 -0.7584 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5874 1.2477 -1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0155 -0.3700 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8457 -0.2815 -0.8427 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 1 26 76 1 0 26 77 1 0 30 78 1 0 31 79 1 0 35 80 1 0 35 81 1 0 36 82 1 0 36 83 1 0 37 84 1 0 37 85 1 0 38 86 1 0 38 87 1 0 39 88 1 0 39 89 1 0 40 90 1 0 40 91 1 0 41 92 1 0 41 93 1 0 41 94 1 0 M END