HMDB0266797 RDKit 3D PA(a-13:0/20:3(8Z,11Z,14Z)-O(5,6)) 109109 0 0 0 0 0 0 0 0999 V2000 -15.0965 -1.0459 -3.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4675 0.0223 -2.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2336 0.5542 -1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6669 1.6078 -0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4689 2.2176 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8028 1.1406 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5695 0.7983 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6130 1.4170 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4311 1.9427 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2377 1.4809 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9842 0.3739 -1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4026 -0.7332 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2622 -1.2601 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -0.8202 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -0.3801 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 0.6348 -0.3937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 -0.5635 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.4951 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -1.2391 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 0.0826 0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 0.1603 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 0.8307 -0.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 -0.4848 0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 -0.4857 0.3360 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4238 -1.8670 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -1.8225 -0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 -3.0161 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 -4.0657 -0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8315 -3.1529 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 -3.1605 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 -1.8468 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 -1.8986 2.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 -0.5919 2.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2533 0.5481 1.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6740 0.2964 1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1244 1.4862 0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5459 1.2998 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7474 0.1054 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0367 2.5564 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1835 2.9087 -1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 0.2299 1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 1.5264 1.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 2.3279 2.7825 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1802 1.5045 4.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 3.8031 3.1502 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 2.5960 2.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9293 -0.5959 -4.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9047 -1.8051 -3.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1510 -1.5319 -3.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9954 0.8266 -3.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1635 -0.4298 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7543 -0.2871 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5291 0.8971 -2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2821 1.1123 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2512 2.3624 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9073 2.7916 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9122 2.9230 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3718 0.5669 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1429 -0.0385 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4580 0.8751 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1343 2.3766 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5435 2.7434 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3848 1.8979 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 0.8586 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8517 0.0151 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9903 -1.1291 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8519 -2.1131 -0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8367 -0.1820 -2.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -1.7849 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -0.6731 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7765 -0.6630 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -1.6265 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -2.5432 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7344 -2.0143 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -1.3073 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 0.9288 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 -0.0146 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 0.1306 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 -2.4532 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -2.3598 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 -4.1584 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 -2.3679 -1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 -3.9986 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -3.3160 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 -1.0045 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 -1.6114 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 -2.6779 2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7362 -2.1905 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7191 -0.3332 3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4058 -0.6513 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5731 0.7340 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2328 1.4846 2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 0.1938 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7393 -0.6418 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 1.6771 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0996 2.3832 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1879 1.1751 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6908 0.2895 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9558 -0.0368 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9607 -0.8278 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0848 3.4067 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1006 2.3235 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5556 2.0832 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8988 3.1973 -2.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5744 3.8375 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7687 0.2540 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5927 -0.2843 2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 3.8237 4.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 1.8083 2.4701 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 2 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 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 17 15 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 6 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END