LMST03020670 LIPID_MAPS_STRUCTURE_DATABASE 54 58 0 0 0 0 0 0 0 0999 V2000 10.5548 15.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 15.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2700 14.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9851 15.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9851 15.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2700 16.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 14.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2559 15.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 16.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2700 13.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 17.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4857 17.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0582 17.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9851 16.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5682 16.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9851 14.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2008 17.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6311 17.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9159 17.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 17.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6311 16.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 13.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 12.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8396 12.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8396 11.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 11.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2700 11.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2700 12.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 10.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 9.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 8.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 8.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8425 8.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8425 9.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 10.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 7.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 8.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 8.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 8.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 7.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 6.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1245 6.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 6.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 11.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 17.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9823 12.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9823 11.0215 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 3 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 5 14 1 1 0 0 0 9 15 1 6 0 0 0 4 16 1 6 0 0 0 12 17 1 0 0 0 0 18 19 1 0 0 0 0 19 17 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 10 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 29 51 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 34 35 1 6 0 0 0 32 36 1 6 0 0 0 33 37 1 1 0 0 0 31 38 1 1 0 0 0 38 39 1 0 0 0 0 40 36 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 45 46 1 6 0 0 0 43 47 1 6 0 0 0 42 48 1 1 0 0 0 44 49 1 1 0 0 0 48 50 1 0 0 0 0 25 51 1 6 0 0 0 11 52 1 1 0 0 0 28 53 2 0 0 0 0 27 54 1 1 0 0 0 M END > LMST03020670 > 1-Hydroxyvitamin D3 cellobioside > (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-cellobioside > C39H64O12 > 724.44 > Sterol Lipids [ST] > Secosteroids [ST03] > Vitamin D3 and derivatives [ST0302] > - > > YEPVLSBVPOTXGK-KKUJWFSYSA-N > InChI=1S/C39H64O12/c1-20(2)8-6-9-21(3)26-13-14-27-23(10-7-15-39(26,27)5)11-12-24-16-25(17-28(42)22(24)4)48-37-35(47)33(45)36(30(19-41)50-37)51-38-34(46)32(44)31(43)29(18-40)49-38/h11-12,20-21,25-38,40-47H,4,6-10,13-19H2,1-3,5H3/b23-11+,24-12-/t21-,25-,26-,27+,28+,29-,30-,31-,32+,33-,34-,35-,36-,37-,38+,39-/m1/s1 > C1C[C@]2(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]2([H])/C(=C/C=C2\C(=C)[C@@H](O)C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)C\2)/C1 > - > - > 185813 > - > - > - > 24779644 > - > - > - > - > - > - > - $$$$