HMDB0002087 RDKit 3D Isovalerylsarcosine 27 26 0 0 0 0 0 0 0 0999 V2000 2.2677 0.3055 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -0.2897 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 0.1928 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 -0.0912 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 -0.7470 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 -1.3690 1.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -0.7149 -0.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 -1.3856 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 -0.0255 -1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 1.3883 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 2.1199 -1.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 1.8564 0.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7206 -0.4082 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 0.6929 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 1.2096 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 -1.4040 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 -0.5112 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 1.1515 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.3446 -2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 1.0072 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.4410 -1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2058 -0.6788 1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 -2.1649 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -1.9464 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -0.1263 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 -0.4732 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 2.5080 0.7900 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 2 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 M END