HMDB0040424 RDKit 3D Ethyl 2-benzylacetoacetate 32 32 0 0 0 0 0 0 0 0999 V2000 3.8410 -1.6797 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 -1.9894 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 -0.7777 0.9583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -0.0077 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5165 -0.3682 -1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7054 1.2524 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 1.0235 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 0.1217 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 0.5844 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4902 -0.3015 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 -1.6453 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3437 -2.1244 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -1.2389 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 2.0098 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 3.3218 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 1.5692 -2.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 -0.6732 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 -2.4051 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 -1.7101 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0047 -2.7500 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0547 -2.3205 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 1.8751 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1124 0.6303 2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8968 2.0217 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 1.6478 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3021 0.0926 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -2.2940 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -3.1886 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -1.6560 1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 3.4760 -1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 3.4102 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 4.0939 -0.7963 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 14 16 2 0 13 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 M END