HMDB0287966 RDKit 3D PC(20:3(6,8,11)-OH(5)/22:1(13Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -1.0795 3.5524 8.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 3.7890 7.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 4.2905 6.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 3.5095 5.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 2.0620 5.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 1.5242 4.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 1.5964 3.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5623 2.8505 2.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 2.4839 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 2.5397 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 2.9681 0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 1.7935 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 2.3441 1.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0184 1.4657 1.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 0.3108 2.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -0.8119 2.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 -1.9319 3.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 -3.1244 3.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.9545 3.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6861 -3.0860 4.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 -2.7692 5.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6685 -3.3372 4.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 -4.4618 3.9974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.3722 3.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 -2.4244 2.0787 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2210 -1.7390 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.3142 0.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 -1.9265 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 -0.9691 -1.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 -2.7056 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 -2.1455 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 -1.9910 -2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -1.2121 -2.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -1.0952 -4.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 0.1780 -2.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 1.1384 -3.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8251 2.4800 -2.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 3.3976 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 4.8047 -3.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 4.9935 -4.0106 C 0 0 0 0 0 0 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0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 6 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 59145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M CHG 2 54 -1 58 1 M END