CDK 1030232200 18 20 0 0 0 0 0 0 0 0999 V2000 1.7127 3.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 2.2975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0051 1.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 0.8205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6770 2.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 2.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6077 0.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0202 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -0.3355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7210 0.5934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7795 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7271 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 1.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 1 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 6 0 0 0 11 8 1 6 0 0 0 9 12 1 6 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 1 0 0 0 14 18 1 6 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 14 16 1 0 0 0 0 M END > CHEBI:205671 > 5-hydroxyculmorin > 2 > (1S,2S,5R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-5,8,11-triol > C15H26O3 > 254.370 > 254.18819 > 0 > O[C@H]1C([C@@H]2[C@@H](O)[C@]3(C[C@H]([C@@H]2[C@@]3(CC1)C)O)C)(C)C > InChI=1S/C15H26O3/c1-13(2)9(17)5-6-14(3)10-8(16)7-15(14,4)12(18)11(10)13/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12-,14+,15-/m1/s1 > XFKGEQRMYJCXFK-OFTJPINFSA-N $$$$