LMST03020617 LIPID_MAPS_STRUCTURE_DATABASE 42 44 0 0 0 0 0 0 0 0999 V2000 11.2720 8.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9870 9.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9870 10.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 10.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 9.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2577 9.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 10.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 11.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 11.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1996 11.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9146 11.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6296 11.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 8.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 11.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6296 10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 7.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 6.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9870 8.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1297 5.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 10.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9870 11.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9842 5.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0601 11.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 10.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5569 9.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 10.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9842 6.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8447 10.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1297 10.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4146 10.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 10.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9844 10.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1297 9.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 12.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 10.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 9.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.6095 0.0000 O 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 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 1 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 2 23 1 6 0 0 0 19 24 1 6 0 0 0 12 25 1 0 0 0 0 3 26 1 1 0 0 0 21 27 1 1 0 0 0 8 28 1 0 0 0 0 4 29 1 0 0 0 0 29 30 1 0 0 0 0 30 1 1 0 0 0 0 7 31 1 6 0 0 0 22 32 2 0 0 0 0 29 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 40 1 0 0 0 0 34 38 2 0 0 0 0 8 39 1 1 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 M END > LMST03020617 > 11alpha-Hemiglutaryloxy-1,25-dihydroxyvitamin D3 > (5Z,7E)-(1S,3R,11R)-11-hemiglutaryloxy-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol > C33H52O6 > 544.38 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > > AMPJOWCBMADIGZ-OKNBPXAMSA-N > InChI=1S/C33H52O6/c1-21(8-7-15-32(3,4)39)28-13-14-29-25(12-11-24-18-27(35)19-30(36)22(24)2)16-23(20-33(28,29)5)17-26(34)9-6-10-31(37)38/h11-12,21,23,27-30,35-36,39H,2,6-10,13-20H2,1,3-5H3,(H,37,38)/b24-11-,25-12+/t21-,23-,27-,28-,29+,30+,33-/m1/s1 > C1(/C[C@H](CC(=O)CCCC(O)=O)C[C@]2(C)[C@@]([H])([C@]([H])(C)CCCC(O)(C)C)CC[C@@]/12[H])=C/C=C1\C(=C)[C@@H](O)C[C@H](O)C\1 > - > - > 169672 > - > - > - > 24779627 > - > - > - > - > - > - > - $$$$