HMDB0240910 RDKit 3D 17-methylnonadecanoylcarnitine 85 84 0 0 0 0 0 0 0 0999 V2000 9.5962 -0.9509 -2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2628 -1.8743 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 -1.1138 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4174 -0.4094 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0443 -0.0221 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7039 -0.6363 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6175 0.3768 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 1.1908 0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9449 0.4493 2.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 -0.4052 2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4072 0.0956 1.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 0.6814 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 1.1307 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 2.1660 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 2.6029 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 1.4659 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 1.9239 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6927 2.4946 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3792 1.5246 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 0.3453 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -0.6323 -2.3317 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 0.2785 -0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2151 -0.8513 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1286 -1.4442 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5009 -0.5523 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 0.6366 1.7198 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4319 -1.0797 3.1074 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.5542 -0.3203 -1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6269 -1.2534 -1.0886 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.3120 -2.5296 -1.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6396 -0.6510 -1.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3333 -1.3700 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7760 -0.2321 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 -1.5761 -3.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5653 -0.4349 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -2.5810 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 -2.4500 -1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8557 -1.7627 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5257 0.5110 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5069 -0.1533 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2380 -1.1064 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 0.4399 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3579 0.7401 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 -1.4864 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8416 -1.0844 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 -0.0768 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 1.0687 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4207 1.6264 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 2.1080 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 -0.0766 2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7355 1.2485 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -0.9845 3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 -1.2724 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 0.8530 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 -0.7841 1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -0.1328 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 1.5497 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 0.2400 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 1.4945 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 3.0844 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 1.7531 2.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 2.9796 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4046 3.4583 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 0.7163 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 0.9749 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6975 2.7784 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2336 1.1331 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 2.8221 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 3.4094 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5906 2.0745 -2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3097 1.2480 -1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8443 -1.5552 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6586 -2.4003 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -1.7146 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8421 0.5402 -0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4304 0.0877 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3605 -2.9704 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3821 -2.4262 -2.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1180 -3.2344 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5253 0.4625 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6561 -0.8602 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5100 -0.9883 -3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0457 -2.2636 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2075 -0.4174 0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4461 -1.4753 0.0289 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 3 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 28 75 1 0 28 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 32 85 1 0 M CHG 2 27 -1 29 1 M END