HMDB0286090 RDKit 3D PC(18:3(9,11,15)-OH(13)/16:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 -4.8376 1.9657 6.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 1.3488 7.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 1.2645 6.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 0.1226 6.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -0.0654 5.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -0.9378 4.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 -2.1976 5.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 -1.1496 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.1148 3.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 -0.2980 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 0.7525 3.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 0.4950 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5474 1.0540 1.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6862 2.4886 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 3.4015 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 4.8146 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 5.7873 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 5.6192 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6761 4.5098 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 4.3988 1.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 3.5111 -0.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 2.5030 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 1.4698 -0.5404 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1018 0.5494 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 1.3233 0.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 0.5165 1.1989 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7482 1.1910 2.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 0.5991 0.2958 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1201 -1.1075 1.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2654 -1.7020 2.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 -3.1332 2.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3113 -3.6852 2.9773 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.2614 -3.8784 1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0249 -4.9715 3.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9258 -2.8302 3.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 0.7358 -1.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.5128 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 1.0513 -3.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -0.3517 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 -1.7829 -2.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -1.9154 -3.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 -3.3577 -4.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4084 -3.9300 -5.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -3.8364 -6.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -2.4754 -7.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 -2.6908 -8.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 -2.1960 -9.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1112 -1.3142 -8.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 -0.0383 -9.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 0.7452 -9.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 1.2624 -8.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 2.0615 -8.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 2.5921 -7.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 2.7253 5.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6327 2.4651 6.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 1.1759 5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 2.0224 8.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 0.3484 7.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 2.1715 6.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -0.7784 6.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 0.9104 5.6649 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-7.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1887 1.9555 -7.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 2.8998 -9.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 1.3894 -8.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 3.1443 -7.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 3.2965 -6.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5323 1.7710 -6.3732 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 22 83 1 0 22 84 1 0 23 85 1 6 24 86 1 0 24 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 33 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M CHG 2 28 -1 32 1 M END