LMST03020543 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 9.3688 6.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 6.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 7.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 8.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 9.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3376 9.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3376 10.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 11.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3688 7.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 12.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3376 12.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1956 12.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1956 11.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9116 11.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9116 12.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0536 12.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1956 12.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1956 10.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8060 13.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0536 13.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9116 14.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 13.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6274 14.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4853 13.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 14.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4853 12.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0536 14.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0968 13.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2267 8.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 6.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 13.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6274 12.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6274 11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4853 10.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 12.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2012 13.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0591 14.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0591 15.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2012 15.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 15.1293 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 10 30 2 0 0 0 0 3 31 1 6 0 0 0 1 32 1 1 0 0 0 25 33 1 0 0 0 0 27 34 2 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 27 1 0 0 0 0 26 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 26 1 0 0 0 0 M END > LMST03020543 > 1alpha,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 > (5Z,7E)-(1S,3R)-25,25-diphenyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol > C37H48O3 > 540.36 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > 1alpha,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol > OXXBKFFJWAXMCY-CORMLKSPSA-N > InChI=1S/C37H48O3/c1-26(12-10-23-37(40,30-14-6-4-7-15-30)31-16-8-5-9-17-31)33-20-21-34-28(13-11-22-36(33,34)3)18-19-29-24-32(38)25-35(39)27(29)2/h4-9,14-19,26,32-35,38-40H,2,10-13,20-25H2,1,3H3/b28-18+,29-19-/t26-,32-,33-,34+,35+,36-/m1/s1 > [C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])CCCC(O)(C4C=CC=CC=4)C4C=CC=CC=4)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1 > - > - > - > - > - > - > 9547646 > VVD0639 > - > - > - > - > 32630 > - $$$$