HMDB0259506 RDKit 3D 18-(p-Iodophenyl)octadecyl phosphocholine 89 89 0 0 0 0 0 0 0 0999 V2000 11.5538 0.9545 1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8526 0.8552 0.2945 N 0 0 0 0 0 4 0 0 0 0 0 0 9.7422 1.7658 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7874 1.3141 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4797 -0.5193 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 -0.7638 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 -0.0959 -0.5651 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0222 -0.3721 -1.7004 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4186 0.9608 -2.1442 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 -1.2401 -3.0152 O 0 0 0 0 0 1 0 0 0 0 0 0 5.8032 -1.2864 -0.9222 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 -0.7750 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6716 -1.4792 1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3244 -1.3290 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 0.1154 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 0.2709 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 -0.3915 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -0.1460 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 -0.7592 0.3465 C 0 0 0 0 0 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8.9584 1.4093 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1242 2.7201 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2756 1.9892 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5661 0.9178 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8384 1.0105 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7895 2.4221 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 -0.8933 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 -1.0803 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7475 -0.5503 -1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1606 -1.8498 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5169 0.3039 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 -0.9004 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -0.9707 2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8947 -2.5538 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -1.9260 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -1.7705 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 0.6446 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 0.5851 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 1.3615 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 -0.2134 -1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 -1.4701 0.5902 H 0 0 0 0 0 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0.3007 -3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9347 1.5048 -2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0628 0.2784 -4.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1980 0.3614 -3.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4192 -1.1971 -2.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2583 -2.2191 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9068 -2.1694 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9108 1.9517 1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2653 1.8955 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 8 11 1 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 1 0 20 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 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 35 36 2 0 36 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 31 86 1 0 32 87 1 0 35 88 1 0 36 89 1 0 M CHG 2 2 1 10 -1 M END