LMST03020637 LIPID_MAPS_STRUCTURE_DATABASE 38 40 0 0 0 0 0 0 0 0999 V2000 6.2560 6.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 6.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 6.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 7.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 8.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 8.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 9.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 10.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 10.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 10.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 9.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1428 9.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 9.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1428 10.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1428 11.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8471 11.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5516 11.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 5.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3663 6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 8.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3663 5.2492 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 10.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4412 11.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 10.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9604 10.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6647 9.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1428 11.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8761 10.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2828 10.1969 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 12.4694 11.6057 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 13.5805 11.3079 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 11.9604 9.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7738 9.3184 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 11.9604 8.5050 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 11.1470 9.3184 0.0000 D 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 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 5 22 2 0 0 0 0 19 20 1 0 0 0 0 2 21 1 6 0 0 0 4 24 1 1 0 0 0 11 25 1 1 0 0 0 10 23 1 6 0 0 0 18 19 1 0 0 0 0 17 18 1 0 0 0 0 18 26 1 0 0 0 0 20 27 3 0 0 0 0 27 28 1 0 0 0 0 28 31 1 0 0 0 0 28 35 1 0 0 0 0 28 29 1 0 0 0 0 18 30 1 1 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 M END > LMST03020637 > 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 > (5Z,7E,16Z)-(1S,3R)-1-fluoro-13-yne-26,26,26,27,27,27-hexadeutero-9,10-seco-5,7,10(19),16-cholestatetraen-3,25-diol > C27H31D6FO2 > 418.32 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > > NKOYFZVBKCJNED-WVQQRFAFSA-N > InChI=1S/C27H37FO2/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(28)19(21)2/h10-12,18,22,24-25,29-30H,2,7-9,13,15-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1/i3D3,4D3 > C1/C(=C/C=C2\CCC[C@]3(C)C([C@]([H])(C)CC#CC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])=CC[C@@]\23[H])/C(=C)[C@@H](F)C[C@@H]1O > - > - > - > - > - > - > 24779633 > - > - > - > - > - > 32630 > - $$$$