HMDB0059745 RDKit 3D N-Acetylaminooctanoic acid 33 32 0 0 0 0 0 0 0 0999 V2000 -4.8143 1.1384 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 0.1841 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 0.7220 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -0.2345 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -0.5351 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -1.4921 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.9965 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 0.2238 -0.4959 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 0.7484 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6863 2.0181 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 0.1668 1.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -2.0734 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 -3.2352 0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -1.7684 -0.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8096 1.8427 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 1.6858 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7406 0.5201 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3655 0.0993 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -0.7787 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6972 0.9338 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 1.6953 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 -1.1515 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 0.2734 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -1.0729 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 0.3587 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 -2.4718 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -1.6755 -1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -0.7999 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 2.5459 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 1.8266 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 2.7231 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6678 0.1337 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -1.5548 -1.5656 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 2 3 9 10 1 0 9 11 1 0 7 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 14 33 1 0 M END