LMST03020631 LIPID_MAPS_STRUCTURE_DATABASE 40 42 0 0 0 0 0 0 0 0999 V2000 6.2665 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 6.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 7.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 8.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 8.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 10.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 10.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 10.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 9.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6821 9.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 10.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 11.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4818 11.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 11.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6269 11.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3420 11.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0570 11.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7720 11.6883 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 8.4087 5.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 11.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9118 10.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 8.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0570 10.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7720 10.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 11.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 11.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 11.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 11.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 10.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 10.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 12.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 12.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4087 6.8971 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 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 1 0 0 0 0 17 11 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 6 0 0 0 4 26 1 1 0 0 0 17 18 1 0 0 0 0 11 27 1 1 0 0 0 17 28 1 6 0 0 0 10 29 1 6 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 19 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 18 38 1 6 0 0 0 33 39 1 6 0 0 0 5 40 2 0 0 0 0 M END > LMST03020631 > (20R)-24-Hydroxygeminivitamin D3 > (5Z,7E)-(1S,3R,20R)-20-(3R,4-dihydroxy-4-methy-propyl)-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol > C32H54O5 > 518.40 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > > UAKRHUPVCAWPPT-DBQRCUIGSA-N > InChI=1S/C32H54O5/c1-21-24(19-25(33)20-28(21)34)12-11-22-10-8-18-32(6)26(22)14-15-27(32)23(9-7-17-30(2,3)36)13-16-29(35)31(4,5)37/h11-12,23,25-29,33-37H,1,7-10,13-20H2,2-6H3/b22-11+,24-12-/t23-,25-,26+,27-,28+,29-,32+/m1/s1 > C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@]([H])(CCCC(O)(C)C)CC[C@@H](O)C(O)(C)C)CC[C@@]\23[H])/C(=C)[C@@H](O)C[C@@H]1O > - > - > 188265 > - > - > - > 9892841 > - > - > - > - > - > - > - $$$$