HMDB0249460 RDKit 3D butenoylcarnitine 35 34 0 0 0 0 0 0 0 0999 V2000 3.4724 1.6437 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 1.1476 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 0.3198 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 -0.1566 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5715 0.2286 0.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -1.0709 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 -1.1849 -1.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 -2.4645 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -2.6330 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -3.7657 1.8654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 -1.7018 2.4914 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1173 -0.7681 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 0.4143 0.0817 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4356 0.4789 -1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 1.6329 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9343 0.4929 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 0.8440 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 2.2523 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 2.3474 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 1.4752 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 0.0039 -2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1869 -0.3187 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 -2.8372 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 -3.1964 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 -0.7069 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 -1.6194 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5306 -0.4757 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 1.2814 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5004 0.8507 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 2.4625 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 1.6699 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 1.8121 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 1.1482 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3021 -0.5281 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 0.9214 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 6 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 12 25 1 0 12 26 1 0 14 27 1 0 14 28 1 0 14 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 M CHG 2 11 -1 13 1 M END