HMDB0034990 RDKit 3D 4-Methoxybenzyl propanoate 28 28 0 0 0 0 0 0 0 0999 V2000 4.9479 -0.1621 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -0.9659 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 -0.0809 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 0.3561 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.2753 1.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 1.0922 1.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 0.5390 1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 1.3691 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 0.8823 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 -0.4462 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0505 -1.0005 -0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0856 -0.2712 -0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 -1.2762 0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 -0.7930 1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -0.6767 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 0.7772 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 0.1191 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6943 -1.2297 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -1.8331 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 2.1132 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9786 1.2412 2.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0212 2.4060 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 1.5447 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -0.0107 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 0.7163 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0017 -0.8977 -0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 -2.3246 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 -1.4633 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 14 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 9 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