HMDB0031614 RDKit 3D 4-Phenyl-2-butyl acetate 30 30 0 0 0 0 0 0 0 0999 V2000 3.8748 1.9909 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 0.6980 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2603 0.0879 2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 0.1544 -0.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 -1.0621 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -2.0059 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 -0.9200 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 0.0673 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8644 0.1980 0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8287 -0.6145 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1587 -0.4733 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 0.4673 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6475 1.2818 -0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 1.1410 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 2.5530 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 1.7625 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 2.6244 1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 -1.4951 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -1.4959 -1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -2.1169 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 -2.9989 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.6680 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 -1.9032 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -0.2263 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 1.0561 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 -1.3642 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -1.1235 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 0.5538 -0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 2.0207 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 1.8106 -1.1162 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 7 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 5 18 1 0 6 19 1 0 6 20 1 0 6 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