HMDB0031449 RDKit 3D Sequoyitol 27 27 0 0 0 0 0 0 0 0999 V2000 2.8483 -0.4826 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 -0.4259 -0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9799 0.0687 0.4619 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0779 -0.9140 1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1335 -0.5924 2.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -1.1374 0.3769 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8548 -1.8847 -0.7627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 0.1155 -0.0739 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8063 -0.2171 -1.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9309 1.1246 -0.6835 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5639 0.7576 -1.9692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 1.3758 0.1551 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0208 2.0072 1.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.5537 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -1.0761 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 -0.8356 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 0.3021 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 -1.9030 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9671 -0.1072 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -1.7132 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 -2.8435 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 0.6305 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4991 -0.9752 -1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 2.0918 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 1.2328 -2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 1.9925 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 2.8551 1.1646 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 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 1 4 18 1 1 5 19 1 0 6 20 1 1 7 21 1 0 8 22 1 1 9 23 1 0 10 24 1 6 11 25 1 0 12 26 1 6 13 27 1 0 M END