HMDB0012881 RDKit 3D Acetylcarnosine 35 35 0 0 0 0 0 0 0 0999 V2000 -6.4102 0.1113 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9821 0.5813 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 1.1384 1.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 0.3398 -1.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 0.7471 -1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1172 0.0303 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 0.4108 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 1.2364 -1.4034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 -0.1804 0.3346 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 0.1443 0.1817 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3873 -1.1190 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8448 -0.9034 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 -1.0402 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -0.7219 -0.2554 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 -0.3911 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -0.5069 -1.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 0.7200 1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 0.8700 2.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 1.1172 1.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 0.2602 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 -0.9744 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9044 0.6613 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8771 -0.1333 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 1.8420 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 0.5410 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 0.2821 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 -1.0840 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -0.8693 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 0.8746 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 -1.4786 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -1.9396 0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -1.3465 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4013 -0.0948 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 -0.3097 -2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 1.1851 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 10 17 1 0 17 18 2 0 17 19 1 0 16 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 9 28 1 0 10 29 1 6 11 30 1 0 11 31 1 0 13 32 1 0 15 33 1 0 16 34 1 0 19 35 1 0 M END