LMST03020622 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 0 0 0 0 0999 V2000 6.2647 6.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2647 5.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 5.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 6.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 6.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 8.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 8.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 9.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 10.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 10.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 10.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 9.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1873 9.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6714 9.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1873 10.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1873 11.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9005 11.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6136 11.2596 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 8.4013 6.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 8.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9828 10.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0790 11.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 11.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3267 11.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 5.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 11.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4771 11.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5053 11.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 12.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6861 10.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5093 10.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2185 11.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9316 11.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6448 11.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3580 11.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2185 12.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1873 12.0831 0.0000 H 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 5 22 2 0 0 0 0 19 20 2 0 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 27 25 1 0 0 0 0 2 21 1 6 0 0 0 4 28 1 1 0 0 0 11 29 1 1 0 0 0 10 23 1 6 0 0 0 17 24 1 6 0 0 0 17 18 1 0 0 0 0 18 30 1 6 0 0 0 18 19 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 1 0 0 0 25 33 1 0 0 0 0 33 34 1 0 0 0 0 34 25 1 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 35 39 2 0 0 0 0 18 40 1 1 0 0 0 M END > LMST03020622 > ZK 168281 > (5Z,7E,22E)-(1S,3R,24R)-25-(carboethoxy-methylene)-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol > C32H46O5 > 510.33 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > > FUDAEUIGIJZUAY-UMIRZPQISA-N > InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14+,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1 > C1/C(=C/C=C2\CCC[C@]3(C)[C@]([C@@]([H])(/C=C/[C@@H](O)C4(CC4)/C=C/C(=O)OCC)C)([H])CC[C@@]\23[H])/C(=C)[C@@H](O)C[C@@H]1O > - > - > 166756 > - > - > - > 9806383 > - > - > - > - > - > 32630 > 33288743 $$$$