LMST03020590 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 999 V2000 12.0609 6.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2934 6.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2934 7.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 8.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 9.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 9.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 10.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 11.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 7.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 12.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 12.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8826 12.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8826 11.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5883 11.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5883 12.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7356 12.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8826 10.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4835 13.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7356 13.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5883 14.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9137 8.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4407 6.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9137 6.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8828 13.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8829 14.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 13.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1772 13.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3244 13.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3244 14.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 15.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6188 14.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6188 13.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 13.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 13.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 13.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 12.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 12.6129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 13.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 11.6283 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 14 18 1 6 0 0 0 17 19 1 6 0 0 0 17 20 1 0 0 0 0 21 20 1 0 0 0 0 10 22 2 0 0 0 0 3 23 1 6 0 0 0 1 24 1 1 0 0 0 13 25 1 1 0 0 0 20 26 1 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 35 33 1 0 0 0 0 36 35 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 M END > LMST03020590 > 1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 > (5Z,7E)-(1S,3R)-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol > C34H50O4 > 522.37 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > 1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol > CIDLXTKGFVYSQX-OPRZYBHESA-N > InChI=1S/C34H50O4/c1-6-34(37,7-2)28-12-8-10-25(18-28)21-38-22-33-17-9-11-26(31(33)16-15-30(33)23(3)4)13-14-27-19-29(35)20-32(36)24(27)5/h8,10,12-14,18,23,29-32,35-37H,5-7,9,11,15-17,19-22H2,1-4H3/b26-13+,27-14-/t29-,30-,31+,32+,33+/m1/s1 > [C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@](C(C)C)([H])[C@@]3(COCC3C=C(C(O)(CC)CC)C=CC=3)CCC\2)/C[C@@H](O)C1 > - > - > - > - > - > - > 9547685 > VVD0692 > - > - > - > - > 32630 > - $$$$