HMDB0241725 RDKit 3D 3-Hydroxyocta-3,6-dienoylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 6.9437 1.8269 -0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 0.4905 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1103 0.2341 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 -1.0825 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -0.8598 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 -1.2228 1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 -1.8377 -0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 -1.0352 2.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.1812 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 1.0364 1.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -0.7418 0.4309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 0.0263 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -0.1480 -1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 0.2861 -2.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 0.7330 -1.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 0.2269 -3.4720 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0714 -0.3967 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2479 0.2014 -0.1804 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1957 1.6427 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3018 -0.0484 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7752 -0.4385 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 2.4865 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9175 1.6955 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2513 2.2770 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0092 -0.2735 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 0.9516 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 -1.5675 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -1.7472 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7197 -0.3761 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -1.9541 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.9974 2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -0.5219 2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 1.0795 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -1.2459 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 0.3280 -2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0156 -0.2398 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 -1.5023 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1027 1.9775 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4001 2.0896 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1413 2.1386 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3109 -0.0019 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1469 -1.0751 1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2349 0.7229 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 -1.2217 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8462 0.2192 -2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7229 -0.9532 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 17 36 1 0 17 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 M CHG 2 16 -1 18 1 M END