HMDB0285638 RDKit 3D PC(14:0/18:1(12Z)-2OH(9,10)) 130129 0 0 0 0 0 0 0 0999 V2000 -4.6677 -1.5093 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -1.3287 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8074 -0.6103 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6119 0.7592 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8274 1.6892 1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7164 2.9871 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 3.5997 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 3.0212 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 3.9360 2.0087 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3115 5.1503 1.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 3.3075 2.0807 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6289 3.1559 0.7312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 4.1966 2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 3.7150 2.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 3.4244 1.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4449 2.9504 1.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 2.6569 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 1.6178 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 1.2834 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 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0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 2.6294 -8.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 2.8007 -9.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 3.3271 -8.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 3.9502 -8.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 1.5261 -5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8683 3.1824 -6.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 2.8375 -5.9386 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 1 0 9 11 1 0 11 12 1 0 11 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 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 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 38 39 1 0 39 40 1 0 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 1 10 69 1 0 11 70 1 1 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 50122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M CHG 2 45 -1 49 1 M END