HMDB0241117 RDKit 3D Deca-2,8-dienedioylcarnitine 51 50 0 0 0 0 0 0 0 0999 V2000 -3.8333 0.9580 -2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7199 0.4593 -1.1242 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.7253 -0.5750 -1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 -0.1088 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3315 1.5981 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 1.2655 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 0.9457 2.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7951 2.0996 2.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 3.1881 1.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9367 2.0571 3.0398 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7493 0.4117 1.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5067 0.8112 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 2.0043 1.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.0603 1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.4085 1.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -0.5264 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 0.0265 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2604 -0.8911 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0116 -2.2784 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.3707 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 -1.3474 -1.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -1.5258 -3.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 -2.6790 -3.5569 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6145 -0.4467 -3.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 0.2282 -3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3654 1.9507 -2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 1.1754 -2.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 -1.2433 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9584 -1.2145 -2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 -0.1479 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 -1.0890 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6453 0.5745 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5649 -0.3853 -1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 2.2421 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5569 2.1547 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 2.2722 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 0.0453 1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 0.8142 3.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5978 -1.0929 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 1.4368 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 -0.5401 2.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -1.5102 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 0.1949 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 1.0342 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 -0.4272 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 -0.9773 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8964 -2.9460 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1682 -2.7280 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 -3.3510 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1508 -0.3883 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5407 0.4937 -3.6017 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 1 0 20 21 2 3 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 24 51 1 0 M CHG 2 2 1 10 -1 M END