HMDB0032966 RDKit 3D Furaneol acetate 22 22 0 0 0 0 0 0 0 0999 V2000 3.8086 -0.5621 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3592 -0.3173 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.1136 -1.6701 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 -0.3073 0.5405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 -0.0766 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5593 1.0805 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 2.4178 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 0.8569 0.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 -0.5225 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3093 -1.0530 -0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 -1.1343 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 -2.3130 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.2766 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4513 -0.0160 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -1.6734 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9112 2.3659 1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 2.8920 -0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6821 3.1193 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 -0.6714 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 -0.2587 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 -1.8748 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 -1.5619 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 5 1 0 1 13 1 0 1 14 1 0 1 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 M END