Ketcher 01132211102D 1 1.00000 0.00000 0 41 45 0 1 0 999 V2000 2.3345 -2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -4.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0586 -3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0586 -2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -5.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9207 -4.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 -3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 -4.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9207 -2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -2.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2613 -0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2477 -1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 -0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3768 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3906 -2.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 -1.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6443 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5106 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2569 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1413 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6443 -2.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -1.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2569 0.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3814 -1.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1413 -1.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1413 -0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1460 0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0866 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6753 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0940 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9560 1.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9560 2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6801 2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5422 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5422 2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0940 2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2319 2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 10 4 1 0 0 0 1 7 1 0 0 0 7 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 9 1 1 0 0 2 5 1 1 0 0 3 6 1 6 0 0 7 8 1 6 0 0 11 12 1 0 0 0 28 11 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 1 0 0 0 14 19 1 1 0 0 15 20 1 0 0 0 29 21 1 1 0 0 17 22 1 0 0 0 18 23 1 0 0 0 22 24 1 0 0 0 29 20 1 0 0 0 16 17 2 0 0 0 23 24 1 0 0 0 11 25 1 1 0 0 12 26 1 6 0 0 28 27 1 6 0 0 28 30 1 0 0 0 29 28 1 0 0 0 32 29 1 0 0 0 32 31 1 0 0 0 30 31 1 0 0 0 32 40 1 0 0 0 32 33 1 6 0 0 40 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 38 1 0 0 0 38 37 1 0 0 0 38 39 1 0 0 0 40 41 1 6 0 0 24 9 1 1 0 0 M END > CHEBI:189067 > cholesteryl beta-D-xyloside > 2 > xylosyl cholesterol; cholesteryl xyloside; cholesteryl 3-beta-D-xyloside; beta-D-xylosyl cholesterol > C32H54O5 > 518.779 > 518.39712 > 0 > C1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]2CC=3[C@@]([C@@]4([C@]([C@]5([H])CC[C@@]([C@@]5(C)CC4)([C@@H](CCCC(C)C)C)[H])(CC3)[H])[H])(CC2)C > InChI=1S/C32H54O5/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(37-30-29(35)28(34)27(33)18-36-30)13-15-31(21,4)26(23)14-16-32(24,25)5/h9,19-20,22-30,33-35H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32-/m1/s1 > UOCVCGQIJOLRSA-INKJFGPASA-N > 33361282 $$$$