HMDB0013161 RDKit 3D 2-Hexenoylcarnitine 41 40 0 0 0 0 0 0 0 0999 V2000 6.4391 -1.2606 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9785 -0.8578 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8646 0.5763 -0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4566 1.0341 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.2816 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 0.8086 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9312 1.9660 -0.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 0.0924 0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.5454 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 0.6419 2.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 -0.5659 2.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 -0.4665 4.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1941 -1.8323 2.4623 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0465 -0.2318 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -0.0044 -0.3172 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1263 -0.9111 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9009 -0.4324 -1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 1.2963 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -0.5599 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5773 -2.3033 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 -1.1726 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 -1.5013 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 -0.8991 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1442 0.6510 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 1.2016 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2017 2.0538 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -0.7136 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 1.5872 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6304 1.0587 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 1.4486 2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 -0.1167 -1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 -1.3287 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 -0.4140 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 -1.7448 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0538 -1.3242 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0049 -0.2948 -1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 0.1655 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7176 -1.5257 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 1.6331 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 1.3307 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 2.0887 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 14 31 1 0 14 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 18 39 1 0 18 40 1 0 18 41 1 0 M CHG 2 13 -1 15 1 M END