HMDB0037709 RDKit 3D 4-Methylphenyl 3-methylbutanoate 30 30 0 0 0 0 0 0 0 0999 V2000 5.4090 0.6770 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 0.2545 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 0.9634 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8081 0.5696 -0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 -0.5272 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 -0.9489 -0.4313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -0.5484 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 0.2639 1.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 -1.0460 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3301 0.0443 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 1.2378 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7431 -0.5168 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 -1.2294 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4754 -0.8489 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 1.7817 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 0.3378 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0345 0.2968 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 1.8418 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 1.1321 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -1.3176 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 -1.9638 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 0.3839 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 0.9033 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4523 1.8822 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 1.8449 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 0.3454 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9466 -1.1575 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 -1.1501 -1.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 -2.1119 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -1.3938 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 5 13 1 0 13 14 2 0 14 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END