9547596 CDK 0409211651 40 42 0 0 0 0 0 0 0 0999 V2000 8.4955 3.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0717 6.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -3.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -5.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 2.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6513 1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4319 2.9215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4319 1.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9134 2.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 3.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6883 3.7057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6513 3.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 4.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7518 4.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5590 4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8154 5.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -1.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -1.8675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9369 -1.8675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2223 -2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5995 5.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -3.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -4.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 1.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1247 3.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 1 21 1 0 0 0 0 2 25 1 0 0 0 0 28 3 1 6 0 0 0 3 34 1 0 0 0 0 29 4 1 1 0 0 0 5 34 2 0 0 0 0 6 38 1 0 0 0 0 7 38 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 1 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 39 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 40 1 6 0 0 0 11 12 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 2 0 0 0 0 28 30 1 0 0 0 0 29 30 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:168910 > 1,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate/ 1,25-dihydroxy-22-oxacholecalciferol 3-hemiglutarate > 2 > 5-[(1R,3Z,5S)-3-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-5-oxopentanoic acid > C31H48O7 > 532.718 > 532.34000 > 0 > O([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OC(=O)CCCC(O)=O)C[C@H](O)C3=C)[H])C)[H])C)CCC(O)(C)C > InChI=1S/C31H48O7/c1-20-23(18-24(19-27(20)32)38-29(35)10-6-9-28(33)34)12-11-22-8-7-15-31(5)25(13-14-26(22)31)21(2)37-17-16-30(3,4)36/h11-12,21,24-27,32,36H,1,6-10,13-19H2,2-5H3,(H,33,34)/b22-11+,23-12-/t21-,24+,25+,26-,27-,31+/m0/s1 > OREIUHIOTGIWFL-JFLHORETSA-N > LMST03020492 $$$$