HMDB0059898 RDKit 3D Ethyl 4-ethoxybenzoate 28 28 0 0 0 0 0 0 0 0999 V2000 5.2710 1.2575 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 -0.0478 -0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.2157 -0.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 -0.7213 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -1.9040 0.3479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -0.4207 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -1.4033 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 -1.0784 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 0.2097 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2329 0.5754 0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 -0.4568 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5804 0.0765 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 1.1886 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3633 0.8615 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0254 1.1001 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8087 1.6843 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 2.0414 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 -0.4327 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -0.7767 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 -2.3999 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 -1.8554 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 -1.2468 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9381 -0.9216 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2571 -0.7638 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7006 0.9484 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 0.4372 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 2.2262 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 1.6068 -0.2885 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 9 13 1 0 13 14 2 0 14 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 7 20 1 0 8 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END