HMDB0286885 RDKit 3D PC(18:1(12Z)-2OH(9,10)/18:4(6Z,9Z,12Z,15Z)) 134133 0 0 0 0 0 0 0 0999 V2000 0.9750 -0.8125 -3.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -0.4168 -4.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 0.9824 -4.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 1.9761 -4.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 1.8323 -3.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 2.0984 -4.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 2.4115 -5.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 2.6480 -6.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 3.9701 -7.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 4.9266 -7.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3707 5.1805 -7.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 4.2252 -7.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 4.5047 -6.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 5.7436 -5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5527 5.5797 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 4.6591 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 4.6314 -2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 3.7409 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 4.1933 -0.2011 O 0 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1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 1 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 6 34102 1 0 35103 1 1 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 49 -1 53 1 M END