HMDB0240664 RDKit 3D Benzoylcarnitine 39 39 0 0 0 0 0 0 0 0999 V2000 -2.4626 -1.4263 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 -0.0696 1.1665 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.4017 0.2467 2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -0.0721 2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0754 0.8728 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 0.5506 -0.9223 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1467 1.6659 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 1.5121 -3.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 0.5695 -3.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 2.4769 -4.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 0.3938 -0.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 -0.7804 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -1.7373 -1.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.8503 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -1.9995 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.0017 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8861 -0.8992 0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 0.2458 1.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 0.2361 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 -2.0266 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 -1.9356 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 -1.3774 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 -0.6674 2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.0178 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 0.6064 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 0.0303 3.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 0.7977 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4967 -1.0266 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 0.9572 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 1.9024 0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.3909 -1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 1.7122 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 2.6578 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 3.2808 -4.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 -2.8547 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 -2.9038 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -0.9447 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 1.0950 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 1.1364 0.6464 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 6 7 32 1 0 7 33 1 0 10 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 M CHG 1 2 1 M END