HMDB0000688 RDKit 3D Isovalerylcarnitine 40 39 0 0 0 0 0 0 0 0999 V2000 5.2601 0.3738 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 0.5926 0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 1.3986 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 -0.7494 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.5400 0.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 0.0115 2.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 -0.9262 0.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 -0.6997 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -2.0765 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -2.5534 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 -2.5514 -1.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 -3.0002 -1.9466 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3499 0.1891 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 0.5630 -0.4807 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6404 -0.1792 -1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2259 0.6166 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 1.9734 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 1.3023 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -0.3804 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 -0.0205 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 1.1015 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 0.8691 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 1.4630 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 2.3917 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -1.3939 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -1.2380 1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -0.2392 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -2.8097 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -2.1220 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 1.0794 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2525 -0.2825 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 -1.0199 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 -0.4942 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4857 0.5415 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 0.4891 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 1.6642 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.1394 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 2.5150 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 1.9607 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 2.3195 -0.6710 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 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 13 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 M CHG 2 12 -1 14 1 M END