HMDB0031646 RDKit 3D Acetic anhydride 13 12 0 0 0 0 0 0 0 0999 V2000 2.5155 0.3765 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -0.3288 0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2587 -1.5643 0.5796 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.3267 0.1932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1794 -0.3751 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 0.2587 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 -1.5934 0.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 0.0133 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 1.4686 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1446 0.2200 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 1.3032 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -0.3694 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 0.2640 1.3096 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 1 0 5 7 2 0 1 8 1 0 1 9 1 0 1 10 1 0 6 11 1 0 6 12 1 0 6 13 1 0 M END