HMDB0252929 RDKit 3D 2-[4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid 52 54 0 0 0 0 0 0 0 0999 V2000 7.7436 1.1346 -1.8303 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 1.4157 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.1094 0.3018 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7323 1.0363 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 1.3584 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 1.0210 0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 0.3480 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 0.0233 0.1678 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 0.4871 1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 1.2348 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 0.4724 -0.2727 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -0.5466 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.2416 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 -1.8677 -0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8564 -0.8439 -0.2695 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7269 -1.3911 0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8247 -0.4989 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6199 -0.9413 2.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0629 0.7560 0.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1396 0.3255 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 -0.0216 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -0.0067 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -0.8527 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 0.0396 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.3704 -1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 0.6445 -2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5918 1.7139 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 3.0559 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6479 1.8839 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 1.3099 1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3825 1.1772 1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -0.4021 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 2.1043 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 1.6630 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 -1.3338 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6689 -0.5766 -1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -2.0644 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 -2.4984 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1446 -2.5364 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1105 -1.7328 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1869 -2.3110 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0174 1.1124 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7501 1.0734 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 0.8152 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 -0.8065 1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 0.8678 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 -0.5793 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 0.8960 -1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 -1.4089 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -1.6358 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1816 -0.4782 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4681 0.0981 -2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 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 17 18 2 0 17 19 1 0 15 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 7 24 1 0 24 25 2 0 25 4 1 0 23 8 1 0 21 12 1 0 1 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 6 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 M END