HMDB0241890 RDKit 3D (2Z)-2-(Propan-2-yl)but-2-enedioylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 -5.1612 0.2801 1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6436 -0.1962 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 0.6551 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1506 -0.3580 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 0.0612 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 0.0460 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.5676 2.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.4354 0.2965 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -0.3450 0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 -1.7483 0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 -2.5398 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -2.0515 -1.4251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 -3.8628 -0.2921 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1105 0.5213 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 0.7639 0.0779 N 0 0 0 0 0 4 0 0 0 0 0 0 4.4074 -0.2258 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 1.0631 1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8016 2.0227 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -0.9801 -1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3781 -1.1949 -1.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 -1.4148 -2.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8415 -0.3754 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8864 1.3558 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2818 0.2182 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 -1.2206 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7905 1.4590 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 1.2155 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5657 0.0685 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 0.5326 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3457 0.1632 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 -2.3322 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 -1.7281 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 1.5302 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0319 0.2112 -1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -0.8453 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 0.3180 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8325 -0.8130 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 0.1910 2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 1.4769 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 1.8475 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 2.7185 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7904 2.3935 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 1.7535 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.7671 -3.2080 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 4 5 2 3 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 4 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 14 33 1 0 14 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 21 44 1 0 M CHG 2 13 -1 15 1 M END