HMDB0257834 RDKit 3D 5-[(2R)-2-Aminopropyl]cyclohexa-1,5-diene-1-carboxylic acid 28 28 0 0 0 0 0 0 0 0999 V2000 3.5041 0.7046 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 0.7567 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 1.6005 1.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 -0.6383 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -0.7857 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 0.2989 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1594 0.1900 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9386 1.4037 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 1.3594 -0.7574 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 2.6202 -0.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 -0.9619 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -2.2069 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -2.1172 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -0.1934 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 0.7445 1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 1.6491 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 1.2223 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1527 1.3257 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 2.5834 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.0166 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -1.2744 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 1.2845 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7509 3.4302 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 -1.0390 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4959 -2.6660 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3283 -2.9277 -0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 -2.7867 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 -2.5600 1.0775 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 1 0 13 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 13 28 1 0 M END