HMDB0040630 RDKit 3D Pratenol A 31 33 0 0 0 0 0 0 0 0999 V2000 -3.4267 -1.2924 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1269 0.0923 -0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 0.0414 -1.9825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 0.9707 -0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 2.0275 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 2.9614 0.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2766 1.8105 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9327 0.6933 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 0.1721 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3653 -0.9592 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 -1.4797 -0.6801 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0068 -0.8802 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -1.4480 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -0.8747 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6381 -1.4693 0.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 0.3074 1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 0.8909 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 0.2887 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 0.9082 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 -2.0373 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 -1.6563 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -1.2908 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 -0.7305 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 2.4935 1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1711 -1.4949 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 -2.3725 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2642 -1.2321 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 0.7600 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 1.8226 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2881 1.0000 1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5539 1.9772 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 8 2 1 0 19 9 1 0 18 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 7 24 1 0 10 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 19 30 1 0 19 31 1 0 M END