HMDB0031250 RDKit 3D Phenylmethyl 2-methylpropanoate 27 27 0 0 0 0 0 0 0 0999 V2000 -2.5845 -1.0923 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 -0.4956 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 0.4952 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 0.1033 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 -0.3254 1.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6879 1.1526 0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5539 1.7316 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 0.7508 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 1.0480 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 0.1700 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -1.0742 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 -1.3923 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5157 -0.4951 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 -2.0270 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 -1.3728 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -0.3612 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -1.3092 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 1.3375 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6328 -0.0050 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7519 0.9773 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5801 2.1753 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 2.5074 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 2.0103 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 0.3918 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 -1.7784 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.3528 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 -0.7697 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END