HMDB0241051 RDKit 3D 7-Methyloctanoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 6.9787 -1.5251 0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -0.5157 0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 0.1948 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5952 -1.3305 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 -0.6775 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 0.2131 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6639 0.8046 -0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 -0.1997 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 0.5304 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.1058 -1.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 0.6506 0.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8935 1.3157 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 2.5443 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 3.1691 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6588 3.3708 -0.2363 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 3.5185 2.0300 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.0816 0.5251 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4229 -0.6237 -0.2087 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3797 -1.2743 -0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 -1.6400 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4906 -0.3062 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9348 -1.0376 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -2.3468 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 -1.9158 1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 0.1274 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 0.0533 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 -0.1871 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0389 1.3017 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 -2.0920 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5276 -1.9903 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -1.5127 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -0.1203 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 1.0820 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 -0.3391 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 1.4955 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.4419 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 -0.8601 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 -0.7719 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0715 1.7487 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 3.2068 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 2.2259 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 1.2255 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0362 0.2269 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0713 -0.7588 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8433 -2.2408 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 -1.6116 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3338 -1.1129 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2093 -2.3312 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 -2.0960 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0841 -1.2141 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 0.1150 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 0.4383 -0.6382 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 M CHG 2 16 -1 18 1 M END