HMDB0013124 RDKit 3D Propenoylcarnitine 32 31 0 0 0 0 0 0 0 0999 V2000 3.7893 -2.2969 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 -1.3232 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 -0.6985 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.0660 1.5288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 0.3408 -0.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 0.9521 0.6606 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6699 2.3756 0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 3.0692 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 2.4885 -1.4798 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 4.4320 -0.4444 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1237 0.9505 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 -0.3870 -0.2017 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.8884 -1.0904 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -0.2083 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -1.1775 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 -2.8007 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6112 -2.6205 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2582 -1.0078 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 0.4698 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 2.3946 1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0784 2.9419 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8767 1.3985 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2418 1.5133 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -1.9377 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 -0.4409 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -1.5631 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 0.6103 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 -1.1623 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 0.1070 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -1.9047 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 -1.7973 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 -0.5611 1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 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 1 0 12 14 1 0 12 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 6 19 1 1 7 20 1 0 7 21 1 0 11 22 1 0 11 23 1 0 13 24 1 0 13 25 1 0 13 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 M CHG 2 10 -1 12 1 M END