HMDB0029282 RDKit 3D Avenanthramide 1p 34 35 0 0 0 0 0 0 0 0999 V2000 -1.0058 0.6569 -2.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 0.3299 -1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 0.3737 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 0.0742 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 0.1232 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 0.4987 -1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 0.5386 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 0.1913 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1566 0.2145 0.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 -0.1866 1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 -0.2244 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4349 -0.0598 -0.3874 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 -0.1423 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5483 -0.0644 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 -0.1977 -1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6087 -0.4140 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 -0.4988 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5644 -0.3634 0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 -0.4311 2.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -0.2936 2.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 -0.6694 3.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 0.6892 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -0.2392 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 0.7809 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 0.8375 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5352 1.0982 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 -0.4601 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -0.5218 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 -0.3455 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 0.0970 -2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4038 -0.1233 -2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6896 -0.5136 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 -0.6727 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -0.0819 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 11 5 1 0 18 13 1 0 3 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 21 34 1 0 M END