HMDB0030916 RDKit 3D 2-Hydroxyacorenone 41 42 0 0 0 0 0 0 0 0999 V2000 4.2034 1.2130 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7466 0.8090 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 0.9544 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 0.5934 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -0.1368 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 0.4307 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1339 0.2697 -1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -0.2889 -2.3461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.6085 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 -1.9680 0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 -2.3837 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 -1.3821 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -1.0967 1.9228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 -0.1824 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 1.0372 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 0.7583 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 2.1522 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 2.2208 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 0.4931 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.2720 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 1.3716 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 0.0424 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 1.5728 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 1.5014 -1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -0.1326 -2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 -1.9031 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -1.4023 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -3.0331 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -2.0591 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4639 -2.9735 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -3.1461 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 -1.7560 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -1.8396 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -0.5023 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.4109 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 0.2092 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 1.7453 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 0.2730 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8986 2.8289 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 2.8259 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 1.8095 -1.9033 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 5 6 1 0 6 7 1 0 7 8 2 0 5 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 7 2 1 0 14 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M END