HMDB0041615 RDKit 3D Phenethyl isoamyl ether 34 34 0 0 0 0 0 0 0 0999 V2000 -4.9339 0.5775 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 0.4107 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -0.3982 -1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 -0.2631 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 -0.4724 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 0.7856 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 0.7366 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 0.1216 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 0.1440 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 -0.9348 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5828 -0.9322 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4598 0.1104 -0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 1.1761 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 1.2022 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.6290 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6249 -0.1206 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0694 0.3841 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 1.3861 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 -0.2502 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 -1.4807 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 0.0015 -2.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 0.4391 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 -1.1933 1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -1.1300 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -1.0009 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9157 1.7940 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 0.2044 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 0.7757 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 -0.9267 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6685 -1.8053 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -1.7854 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 0.1008 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 2.0067 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 2.0715 1.1965 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 1 0 5 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 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 M END