HMDB0002366 RDKit 3D Tiglylcarnitine 38 37 0 0 0 0 0 0 0 0999 V2000 4.8488 1.8092 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 1.2926 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 -0.0044 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -0.9061 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.5550 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 -1.8029 0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 0.2169 -0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -0.2886 -0.4915 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0503 0.2130 -1.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 -0.1983 -2.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -0.8850 -2.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 0.1680 -4.2474 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4050 0.2326 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 -0.1975 0.5785 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2604 0.0020 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -1.6279 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 0.5390 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 0.9663 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 2.3098 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8727 2.4978 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 1.9806 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 -0.7878 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 -1.9777 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 -0.8071 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 -1.3846 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 1.3310 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -0.1338 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 0.0412 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 1.3644 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 -0.6977 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4403 -0.1529 2.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 1.0285 2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -2.1948 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 -1.9247 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0225 -1.8237 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1879 -0.0606 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1651 1.4589 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 0.9593 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 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 4 22 1 0 4 23 1 0 4 24 1 0 8 25 1 6 9 26 1 0 9 27 1 0 13 28 1 0 13 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 M CHG 2 12 -1 14 1 M END