HMDB0030473 RDKit 3D 1-Ipomeanol 24 24 0 0 0 0 0 0 0 0999 V2000 4.1672 0.5205 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.6976 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 1.8302 0.3843 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -0.4336 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 0.0898 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -0.9612 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -1.6155 -0.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -0.2314 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -0.6995 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 0.3156 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 1.3568 0.5892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 1.0671 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 0.6586 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 1.3040 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 -0.4998 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 -1.1765 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -0.8747 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 0.8388 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 0.6043 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 -1.6919 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 -1.3357 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -1.6895 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 0.2225 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 1.7035 1.0562 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 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 8 2 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 M END