HMDB0113061 RDKit 3D PE-NMe(16:1(9Z)/14:0) 116115 0 0 0 0 0 0 0 0999 V2000 13.2551 3.1126 2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8166 2.7917 1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 2.3582 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4165 2.0102 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 0.8756 0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 0.6283 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 1.8352 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 2.4587 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2309 2.0676 -2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 1.8840 -2.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 0.8334 -2.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 -0.5095 -2.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 -1.6701 -1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 -2.1099 -2.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 -1.1983 -2.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 -0.7194 -1.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0236 0.1001 -1.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -1.0408 -0.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9754 -0.6051 1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 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1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 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 6 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 25 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 30 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 M END