LMST03020487 LIPID_MAPS_STRUCTURE_DATABASE 38 40 0 0 0 999 V2000 9.2746 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 6.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4884 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4884 7.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 8.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 9.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 9.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 10.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 11.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2746 7.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 12.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 12.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1051 12.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1051 11.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 11.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 12.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9670 12.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1051 12.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0305 8.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 6.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1051 10.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7228 13.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9670 13.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9670 14.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 13.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8239 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8189 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8141 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1363 6.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 15.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6905 15.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6905 16.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3116 13.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3116 15.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8091 14.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3067 15.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3067 13.3132 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 10 19 2 0 0 0 0 3 20 1 6 0 0 0 14 21 1 6 0 0 0 17 22 1 6 0 0 0 17 23 1 0 0 0 0 24 23 1 0 0 0 0 23 25 1 6 0 0 0 23 26 1 1 0 0 0 24 27 1 0 0 0 0 27 28 3 0 0 0 0 28 29 1 0 0 0 0 1 30 1 1 0 0 0 24 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 M END > LMST03020487 > (22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 > (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-ethoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol > C31H48O4 > 484.36 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > (22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-20-epicholecalciferol > NPJWIPNUJMLFQR-SYDXKHARSA-N > InChI=1S/C31H48O4/c1-7-31(34,8-2)18-16-29(35-9-3)22(5)26-14-15-27-23(11-10-17-30(26,27)6)12-13-24-19-25(32)20-28(33)21(24)4/h12-13,22,25-29,32-34H,4,7-11,14-15,17,19-20H2,1-3,5-6H3/b23-12+,24-13-/t22-,25-,26-,27+,28+,29-,30-/m1/s1 > [C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@](C)([H])[C@H](OCC)C#CC(O)(CC)CC)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1 > - > - > - > - > - > - > 9547591 > VVD0577 > - > - > - > - > 32630 > - $$$$