HMDB0010727 RDKit 3D 3-Oxododecanoic acid 37 36 0 0 0 0 0 0 0 0999 V2000 5.6808 -0.7893 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 0.1234 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -0.7487 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 0.0468 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 0.8222 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 1.5909 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 0.6723 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 1.5800 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 0.8678 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7123 -0.0977 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 -0.3005 1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 -0.8662 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -2.2242 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 -2.8835 0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8455 -2.7734 -1.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5776 -0.4194 -0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 -0.8134 1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -1.8222 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 0.8289 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3283 0.7448 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 -1.5195 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -1.2298 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 0.6984 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 -0.7079 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4311 1.5515 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 0.1494 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 2.0849 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 2.3383 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 0.1608 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9803 -0.0812 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 2.2660 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 2.2322 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9991 1.6587 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 0.4241 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4436 -0.3971 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6249 -0.9434 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8154 -2.2241 -2.2990 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 12 35 1 0 12 36 1 0 15 37 1 0 M END