HMDB0031571 RDKit 3D 2-Methyl-1-phenyl-2-propanyl acetate 30 30 0 0 0 0 0 0 0 0999 V2000 2.2236 2.4534 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 1.2251 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 1.2859 1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 0.0166 -0.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 -1.1880 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6281 -2.1103 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 -1.9096 0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -1.2046 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -0.2469 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 0.9540 -0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 1.9014 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 1.7071 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 0.5206 1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -0.4155 1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 2.2080 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7054 2.9835 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4778 3.1730 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 -1.6621 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -2.3514 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -3.0394 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1154 -2.6254 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -1.3370 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -2.5804 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.2623 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 -1.0633 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 1.1784 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5768 2.8320 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5778 2.4822 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 0.3987 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -1.3237 1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END