HMDB0035712 RDKit 3D Aloesol 31 32 0 0 0 0 0 0 0 0999 V2000 -3.3257 -0.7981 1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 -0.0141 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6819 0.7622 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 1.4597 -1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 2.2302 -2.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 1.4062 -1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 0.6470 -0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 0.5922 -1.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2294 -0.1011 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -0.0635 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 -0.8070 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -0.2269 1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8868 -0.6161 -0.5777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -0.8300 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 -0.8344 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.4905 1.9178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 -0.0802 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2488 -1.8962 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9495 -0.4387 2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 -0.6163 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 0.7796 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 2.7550 -2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 1.9660 -2.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 -0.4619 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 1.0128 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 -1.9015 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7522 0.4994 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -1.0055 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5126 0.3988 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9212 -0.8925 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 -1.4346 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 9 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 2 1 0 17 7 2 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 M END