Marvin 11190711022D 34 36 0 0 1 0 999 V2000 -1.0890 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 -0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 -2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 -3.6735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8035 -4.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 -4.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 1.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1246 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 1.1190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1246 1.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 0.0390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3745 -0.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 0.8640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3745 1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 3.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9825 1.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -3.6735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3745 -4.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 1.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8390 1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23 25 1 0 0 0 0 25 21 1 0 0 0 0 25 1 1 0 0 0 0 23 2 1 0 0 0 0 23 3 1 0 0 0 0 21 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 31 14 1 0 0 0 0 13 15 1 6 0 0 0 3 4 1 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 21 17 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 33 1 0 0 0 0 33 27 1 0 0 0 0 27 29 1 0 0 0 0 29 19 1 0 0 0 0 29 20 1 0 0 0 0 21 22 1 6 0 0 0 23 24 1 6 0 0 0 25 26 1 1 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 31 32 1 1 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:47813 > (1S)-1,23,25-trihydroxy-24-oxocalciol > 3 > 24-oxo-23-hydroxycalcitriol; 24-oxo-1alpha,23,25-trihydroxyvitamin D3; 24-oxo-1alpha,23,25(OH)3D3; 23-hydroxy-24-oxocalcitriol; 1,23,25-Trihydroxy-24-oxocholecalciferol; 1,23,25-Trihydroxy-24-oxo-vitamin D3; 1,23,25-Tov; (1S)-1,23,25-trihydroxy-24-oxocalciol > C27H42O5 > 446.61938 > 446.30322 > 0 > [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC(O)C(=O)C(C)(C)O > InChI=1S/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24?,27-/m1/s1 > ARRIBDAUGOLZSJ-QEEPAQDXSA-N > 6011886 > 87147-48-6 > 87147-48-6 $$$$