HMDB0242187 RDKit 3D O-Pimeloylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 -3.7597 -2.2321 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -1.6368 -0.3689 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0591 -1.9265 -1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 -2.2600 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.2055 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 0.5286 -0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 2.0069 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 2.4822 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 1.7336 1.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8306 3.8566 0.9312 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2865 0.2334 -0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 0.7374 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 0.7999 1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 1.1926 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0049 0.1561 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 0.6869 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4311 -0.3283 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8174 0.1331 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2163 1.3335 1.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 1.9004 1.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 1.8974 0.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 -3.3231 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 -2.0172 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7139 -1.8371 1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1496 -1.7847 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -1.3916 -2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 -3.0149 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -3.3641 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 -1.9652 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.9042 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8041 -0.0676 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 0.2359 -1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 0.1899 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 2.5287 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 2.3455 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 1.4491 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 2.1064 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 -0.0403 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -0.7548 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.6885 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 0.7789 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -0.6435 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -1.2322 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5289 -0.6938 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 0.2481 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 1.3738 0.4270 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 5 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 21 46 1 0 M CHG 2 2 1 10 -1 M END