HMDB0035014 RDKit 3D 2-Phenylethyl butanoate 30 30 0 0 0 0 0 0 0 0999 V2000 3.9384 0.3478 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 0.4829 -0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2456 -0.4844 -1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8142 -0.2906 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.5929 -2.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 -1.1129 -0.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 -1.0130 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6185 0.3115 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0717 0.2371 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 -0.1986 1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 -0.2674 2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8439 0.1041 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 0.5398 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 0.6015 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 -0.1865 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 -0.2725 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 1.3409 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1759 0.2408 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 1.5255 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -1.5062 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.4076 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 -1.2193 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -1.7890 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0886 0.5586 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 1.1558 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 -0.4956 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 -0.6140 3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9173 0.0442 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0602 0.8307 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6295 0.9434 -1.3060 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 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 2 18 1 0 2 19 1 0 3 20 1 0 3 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