HMDB0040631 RDKit 3D Pratenol B 34 35 0 0 0 0 0 0 0 0999 V2000 -2.2994 -3.8365 0.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 -2.7795 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 -2.9487 1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 -1.5732 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 -0.4156 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 0.7250 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 1.8603 -0.6953 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 0.5061 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 0.6370 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 1.6842 0.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5971 -0.3813 0.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 -0.2606 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 0.8919 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9572 1.0043 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 2.2381 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 2.3542 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 1.1859 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0677 1.2600 -0.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 -0.0484 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 -0.1595 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 -1.3887 -0.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 -1.3600 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -3.1608 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 -1.5966 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 -0.3676 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0794 1.3800 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3239 -0.9408 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 1.8462 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9693 3.1097 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 3.3170 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 1.3292 -1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -0.9593 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 -0.9027 -1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -2.2492 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 12 1 0 20 14 1 0 3 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 11 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 18 31 1 0 19 32 1 0 22 33 1 0 22 34 1 0 M END