HMDB0038605 RDKit 3D Amyl phenylacetate 33 33 0 0 0 0 0 0 0 0999 V2000 -4.8105 -0.5576 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 -0.3610 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 1.0635 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 1.6469 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 0.8546 1.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.9403 0.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 0.3450 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 -0.3158 1.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 0.4866 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -0.2337 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 -1.5495 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 -2.2623 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -1.6813 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1089 -0.3575 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 0.3589 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 0.3318 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6869 -0.8055 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6574 -1.4518 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -0.6738 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 -1.0103 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 1.7047 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 1.0817 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 2.6808 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 1.7756 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 -0.2003 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 1.3146 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 0.1726 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 1.5685 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -2.0159 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 -3.3088 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1743 -2.2401 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8822 0.1428 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 1.4056 0.7236 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END