HMDB0002043 RDKit 3D 5-Phenylvaleric acid 27 27 0 0 0 0 0 0 0 0999 V2000 3.8060 -1.3832 0.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -0.1609 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 0.4335 -0.6494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 0.6644 0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 0.5390 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.8845 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -1.1419 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 -0.4150 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 0.8362 -0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 1.4769 -0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7721 0.8690 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 -0.3944 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -1.0187 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4347 -0.0009 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 0.2866 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 1.7245 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.2304 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 0.8818 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 -1.4674 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.2658 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 -2.2457 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 -0.8532 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 1.3647 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 2.4785 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6639 1.3491 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 -0.8809 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 -2.0223 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END