HMDB0061679 RDKit 3D 3,4,5,6-Tetrahydrohippuric acid 26 26 0 0 0 0 0 0 0 0999 V2000 -2.7965 -1.5123 -1.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -0.7054 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9546 -0.8368 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 0.3693 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 0.3050 0.5005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 0.4478 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 0.6294 -1.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5495 0.3864 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 0.5260 -1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 0.4689 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 -0.5454 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -0.3500 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 0.1628 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 -1.0585 -2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 0.3249 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 1.3659 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 0.1557 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 0.6859 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 0.2451 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 1.4590 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -1.5649 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 -0.4823 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 0.4002 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -1.2965 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3385 -0.6401 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 1.0599 1.6823 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 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 8 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 12 23 1 0 12 24 1 0 13 25 1 0 13 26 1 0 M END