HMDB0062339 RDKit 3D N-Palmitoyl phenylalanine 70 70 0 0 0 0 0 0 0 0999 V2000 6.3416 2.4616 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7072 2.3352 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 1.0333 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 -0.1925 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0585 -0.8981 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -1.4668 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 -0.4708 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 -1.1491 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 -0.0873 -1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 0.9061 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 0.2393 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.4759 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 -1.1144 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 -1.8500 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -0.9105 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 -1.6335 -1.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4029 -2.6765 -1.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8202 -1.3607 -0.7867 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9968 -0.9125 -0.3481 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9494 0.5551 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 0.9743 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1858 1.6374 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4345 2.0274 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8464 1.7660 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9618 1.1080 2.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7148 0.7185 1.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0352 -1.0221 -1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6716 -1.2681 -2.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3521 -0.8528 -1.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6259 2.2778 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1691 3.5638 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1577 1.8519 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7579 3.0969 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 2.6621 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 1.1783 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4836 0.9755 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6346 -1.0100 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9502 -0.0405 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 -0.3085 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 -1.7972 1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -2.0697 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1634 -2.2385 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6221 0.2144 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 0.0788 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -1.7568 -1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 -1.8264 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 -0.4941 -2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 0.5114 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 1.4778 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 1.6618 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1494 0.9749 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1499 -0.5653 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -1.2113 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2394 0.2657 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 -0.2836 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -1.8151 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -2.5890 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1805 -2.4513 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.1431 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9614 -0.5087 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 -3.6233 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 -1.4480 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5635 1.2203 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 0.6078 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8563 1.8446 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1065 2.5408 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8356 2.0771 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2651 0.8970 3.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9961 0.1991 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7843 -1.4183 -0.4057 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 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 16 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 19 27 1 0 27 28 2 0 27 29 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 17 61 1 0 19 62 1 1 20 63 1 0 20 64 1 0 22 65 1 0 23 66 1 0 24 67 1 0 25 68 1 0 26 69 1 0 29 70 1 0 M END