HMDB0255058 RDKit 3D N-Acetylcarnosine 35 35 0 0 0 0 0 0 0 0999 V2000 3.2478 2.5058 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 1.1723 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 1.1085 -1.8014 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -0.0396 0.1496 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -1.3370 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6078 -1.5243 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 -1.3691 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 -1.1106 1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8272 -1.5033 -0.3887 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -1.3553 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8672 -0.2658 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2541 1.0526 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 1.5968 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.8233 -0.7646 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 3.0672 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 1.9727 1.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 -2.6149 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3145 -3.5892 -0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7183 -2.7297 1.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 2.4940 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 3.2527 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 2.8744 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 0.0654 1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 -2.1634 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 -1.3860 -1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 -0.8280 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 -2.5476 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -1.7231 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -1.1279 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6964 -0.3078 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 -0.6118 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 1.1651 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2636 3.9774 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 1.8757 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 -2.8694 2.5056 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 0 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