HMDB0241689 RDKit 3D (2E)-Hept-2-enedioylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 -2.7955 0.8558 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 -0.4666 -0.7218 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7676 -0.3034 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3706 -1.0489 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -1.3342 -1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 -1.2497 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -2.0809 -2.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 -1.9787 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -2.6429 -2.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 -1.1112 -3.7231 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5554 -1.5495 -0.4984 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -0.6841 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 0.3920 -0.4867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 -1.1063 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -0.4256 2.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.9201 1.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 0.7914 1.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5657 2.0709 1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4599 3.1315 2.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8759 2.9374 3.2671 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 4.3714 1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 1.0017 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 1.1490 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 1.6212 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2028 -1.2556 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2984 0.0125 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8781 0.4560 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 -1.6948 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2745 -1.6890 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4447 -0.2492 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 -2.3776 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0683 -1.0147 -2.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 -0.2031 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 -3.1073 -2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -1.5898 -3.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 -2.1061 1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -0.9293 2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 1.5533 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 1.3688 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 0.1191 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 0.2801 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6398 1.7971 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1827 2.4672 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 4.9022 2.5475 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 3 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 21 44 1 0 M CHG 2 2 1 10 -1 M END