Mrv0541 01141415192D 45 49 0 0 0 0 999 V2000 -1.2042 -8.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4921 -10.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4921 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 -8.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2164 -9.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 -10.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6419 -9.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 -8.4966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6455 -8.9192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6625 -7.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -7.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 -7.6866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3624 -8.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1443 -8.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 -8.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -7.4440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1583 -6.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8689 -6.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -6.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 -6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 -6.1841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0161 -6.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7267 -6.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 -7.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 -5.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0006 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -10.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -8.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -8.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -7.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -9.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -9.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6331 -9.7354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6321 -8.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -8.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0593 -8.9058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0601 -9.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3446 -10.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3452 -10.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7728 -8.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 -10.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 -7.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -7.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 21 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 9 12 1 0 0 0 0 23 25 1 0 0 0 0 10 14 1 0 0 0 0 22 26 1 1 0 0 0 13 11 1 0 0 0 0 26 27 1 0 0 0 0 11 12 1 0 0 0 0 2 28 1 1 0 0 0 13 14 1 0 0 0 0 5 29 1 1 0 0 0 1 2 1 0 0 0 0 10 30 1 1 0 0 0 1 4 1 0 0 0 0 13 31 1 1 0 0 0 2 3 1 0 0 0 0 17 32 1 6 0 0 0 5 9 1 0 0 0 0 9 33 1 6 0 0 0 6 7 2 0 0 0 0 14 34 1 6 0 0 0 14 15 1 0 0 0 0 35 28 1 1 0 0 0 35 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 8 10 1 0 0 0 0 18 19 1 0 0 0 0 40 41 1 6 0 0 0 9 10 1 0 0 0 0 38 42 1 6 0 0 0 18 20 1 6 0 0 0 39 43 1 1 0 0 0 3 6 1 0 0 0 0 37 44 1 1 0 0 0 19 21 1 0 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:67554 > daucosterol > A steroid saponin that is sitosterol attached to a β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa. > 3 > sterolin; sitosteryl 3-beta-D-glucoside; lyoniside; eleutheroside A; daucosterin; coriandrinol; BSSG; beta-sitosteryl-beta-D-glucopyranoside; beta-sitosterol 3-O-beta-D-glucopyranoside; beta-daucosterol; alexandrin; 3-beta-(beta-D-glucopyranosyloxy)stigmast-5-ene > (3beta)-stigmast-5-en-3-yl beta-D-glucopyranoside > sitoglusidum; sitogluside > C35H60O6 > 576.84730 > 576.43899 > 0 > CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C > InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 > NPJICTMALKLTFW-OFUAXYCQSA-N > 474-58-8 > 100108 > 474-58-8 > D05848 > CPD-11608 > Daucosterol > 23337296; 23668009; 24010320; 24228585; 7246155 $$$$