HMDB0034991 RDKit 3D 4-Methoxybenzyl butanoate 31 31 0 0 0 0 0 0 0 0999 V2000 -4.6398 0.3440 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2617 -0.4066 -1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0754 -1.3101 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9701 -0.4259 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 0.1903 -1.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6647 -0.2343 0.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 0.5748 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 0.2113 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 1.0838 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 0.8208 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -0.3432 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 -0.6243 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 0.3048 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 -1.2437 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0539 -0.9451 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0184 -0.3540 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 1.0240 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 0.9188 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9873 0.3594 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1168 -0.9999 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -1.8791 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3643 -2.0034 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 1.6536 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.4849 2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 2.0261 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 1.5063 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 0.5185 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 1.2556 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 -0.1207 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 -2.1469 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 -1.6440 -0.1027 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 2 0 15 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END