LMST03020551 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 999 V2000 9.3665 11.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 10.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 11.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 12.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 12.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 13.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3354 14.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3354 15.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 15.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 12.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 16.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3354 17.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 16.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 15.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9071 15.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9071 16.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0499 17.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 17.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 15.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8016 17.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0499 18.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9070 18.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7643 18.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6214 18.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4786 18.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3358 18.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4786 17.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0499 19.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0939 18.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 10.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 10.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3358 17.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 9.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 8.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 8.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4986 9.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 9.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 8.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 8.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4986 8.1106 0.0000 C 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 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 16 1 0 0 0 0 16 17 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 14 19 1 6 0 0 0 17 20 1 6 0 0 0 17 21 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 25 27 1 0 0 0 0 21 28 1 1 0 0 0 21 29 1 6 0 0 0 3 30 1 6 0 0 0 1 31 1 1 0 0 0 25 32 1 0 0 0 0 2 33 1 1 0 0 0 34 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 M END > LMST03020551 > 2alpha-(benzyloxy)-1alpha,25-dihydroxy-19-norvitamin D3 > (7E)-(1R,2S,3R)-2-(benzyloxy)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol > C33H50O4 > 510.37 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > 2alpha-(benzyloxy)-1alpha,25-dihydroxy-19-norcholecalciferol > XUYDUJWCGKCKQA-VMNFMIBJSA-N > InChI=1S/C33H50O4/c1-23(10-8-18-32(2,3)36)27-16-17-28-26(13-9-19-33(27,28)4)15-14-25-20-29(34)31(30(35)21-25)37-22-24-11-6-5-7-12-24/h5-7,11-12,14-15,23,27-31,34-36H,8-10,13,16-22H2,1-4H3/b25-14-,26-15+/t23-,27-,28+,29-,30-,31+,33-/m1/s1 > [C@@H]1(O)C/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])CCCC(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)[C@@H]1OCC1C=CC=CC=1 > - > - > - > - > - > - > 9547652 > VVD0652 > - > - > - > - > 32630 > 7966133 $$$$