HMDB0241708 RDKit 3D Oct-4-enedioylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 -4.5413 -1.0284 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 -0.4649 0.5323 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7827 -1.5407 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 0.5517 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 0.0495 0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 0.3997 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 1.6334 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4711 1.7343 -1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 1.0490 -2.8478 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 2.5666 -1.5107 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8577 0.7997 0.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 0.0723 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 -0.8823 -0.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 0.3780 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 -0.5482 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9675 -0.4266 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.0893 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 0.2218 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 -0.7124 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -0.3300 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 -0.7147 1.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6469 0.4107 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 -2.0497 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2834 -0.4661 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -1.1996 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -2.4929 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4853 -1.3055 2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8812 -1.6856 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0254 0.6639 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0703 0.2758 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9073 1.5054 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3359 0.9427 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -0.6857 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8195 -0.4679 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4132 1.8662 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 2.5072 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 1.4153 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4756 0.2661 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 -1.6296 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 -0.5182 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 -0.6356 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -0.0259 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 0.2300 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6444 1.2518 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7354 -0.5865 -1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -1.7695 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 0.9595 0.1672 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 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 22 47 1 0 M CHG 2 2 1 10 -1 M END