10940565 CDK 0409211651 41 43 0 0 0 0 0 0 0 0999 V2000 6.5950 0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 4.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -4.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3075 -1.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 -2.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.8138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2885 1.0652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5079 -0.0112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7700 0.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2885 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 1.8494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7935 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 2.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6085 2.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 -0.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4157 2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 3.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8325 -0.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4561 3.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 4.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.7237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7935 -3.7237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0789 -4.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -2.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4825 -1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 1.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 -0.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 23 1 0 0 0 0 2 23 2 0 0 0 0 3 26 1 0 0 0 0 34 4 1 6 0 0 0 35 5 1 1 0 0 0 6 39 1 0 0 0 0 7 39 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 40 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 41 1 6 0 0 0 11 12 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 6 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 17 18 1 0 0 0 0 19 22 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 25 28 2 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 37 1 0 0 0 0 30 34 1 0 0 0 0 33 35 1 0 0 0 0 33 38 2 0 0 0 0 34 36 1 0 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 M END > CHEBI:168147 > 16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3 > 2 > 5-[[(1R,2R,3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl]oxy]-5-oxopentanoic acid > C32H50O7 > 546.745 > 546.35565 > 0 > O([C@H]1[C@@]([C@@]2([C@@](C1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)[H])C)([C@@H](CCCC(O)(C)C)C)[H])C(=O)CCCC(O)=O > InChI=1S/C32H50O7/c1-20(9-7-15-31(3,4)38)30-27(39-29(37)12-6-11-28(35)36)19-25-22(10-8-16-32(25,30)5)13-14-23-17-24(33)18-26(34)21(23)2/h13-14,20,24-27,30,33-34,38H,2,6-12,15-19H2,1,3-5H3,(H,35,36)/b22-13+,23-14-/t20-,24-,25+,26+,27-,30+,32+/m1/s1 > BSFJAECYHQSOSY-AMZOUDOWSA-N > LMST03020634 $$$$