LMST03020634 LIPID_MAPS_STRUCTURE_DATABASE 42 44 0 0 0 0 0 0 0 0999 V2000 6.2666 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2666 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 6.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4089 6.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 8.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 8.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 9.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 10.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 10.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 10.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 9.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 9.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6824 9.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 10.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 5.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 11.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 8.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 11.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9121 11.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6272 11.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3422 11.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 11.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 11.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 11.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 10.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 10.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9121 10.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4089 5.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5080 9.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9209 9.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7466 9.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1594 8.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7466 7.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1594 6.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7466 6.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 8.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9817 6.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 12.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 5 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 12 20 1 1 0 0 0 11 21 1 6 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 6 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 2 19 1 6 0 0 0 18 31 1 6 0 0 0 4 32 1 1 0 0 0 17 33 1 6 0 0 0 33 34 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 38 39 1 0 0 0 0 34 40 2 0 0 0 0 38 41 2 0 0 0 0 22 42 1 1 0 0 0 M END > LMST03020634 > 16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3 > (5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol > C32H50O7 > 546.36 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > > BSFJAECYHQSOSY-AMZOUDOWSA-N > 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 > C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@]([H])(C)CCCC(O)(C)C)[C@H](OC(=O)CCCC(=O)O)C[C@@]\23[H])/C(=C)[C@@H](O)C[C@@H]1O > - > - > 168147 > - > - > - > 10940565 > - > - > - > - > - > - > - $$$$