HMDB0062181 RDKit 3D N-Lactoylvaline 28 27 0 0 0 0 0 0 0 0999 V2000 -1.7901 1.3897 -1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 0.6771 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -0.0617 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -0.3433 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.2069 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 -0.2946 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 -1.2259 -1.4555 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 0.2484 -0.7332 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8448 -0.8403 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 1.2575 0.2161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.9118 1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -0.8512 2.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 -1.5125 1.9846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 1.7701 -1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 2.3013 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 0.7304 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 1.4217 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 0.3718 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7121 0.0284 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1184 -1.1294 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9176 -1.1438 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 0.9731 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 0.5785 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -1.5710 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 -0.3919 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -1.4326 0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 2.1107 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1805 -2.3554 2.5524 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 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 4 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 8 23 1 6 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 13 28 1 0 M END