LMST05050017 LIPID_MAPS_STRUCTURE_DATABASE 47 52 0 0 0 999 V2000 12.3821 9.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4781 8.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0940 8.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0940 9.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 9.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 10.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0940 11.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9979 10.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9979 9.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9020 11.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9979 11.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6455 11.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0940 10.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1963 9.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9719 9.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8061 10.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4781 9.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3821 7.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 8.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8061 9.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 9.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 10.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 7.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6251 12.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5291 12.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9979 12.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9020 12.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8927 13.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4331 12.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3042 9.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3787 12.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3787 11.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1877 12.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1580 7.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6435 11.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0619 11.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 7.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 6.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0124 6.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 7.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 9.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6543 9.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7398 8.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9238 7.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0224 7.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9339 8.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7499 9.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 17 2 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 37 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 20 16 1 0 0 0 0 16 10 1 0 0 0 0 10 27 1 0 0 0 0 27 24 1 0 0 0 0 1 21 1 0 0 0 0 19 21 1 0 0 0 0 5 21 1 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 10 12 1 6 0 0 0 2 23 1 1 0 0 0 4 13 1 1 0 0 0 5 14 1 6 0 0 0 9 15 1 6 0 0 0 21 22 1 1 0 0 0 24 25 1 0 0 0 0 25 29 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 1 0 0 0 20 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 18 34 1 1 0 0 0 16 35 1 1 0 0 0 33 36 1 0 0 0 0 19 34 1 1 0 0 0 37 38 1 1 0 0 0 42 47 1 0 0 0 47 46 1 0 0 0 46 45 1 0 0 0 45 44 1 0 0 0 44 43 1 0 0 0 43 42 1 0 0 0 44 39 1 6 0 0 45 40 1 1 0 0 46 41 1 6 0 0 43 23 1 1 0 0 M END > LMST05050017 > Kurilensoside H > (25S)-3beta-(beta-D-xylopyranosyloxy)-4beta,5beta-epoxycholestan-6beta,8,15alpha,16beta,26-pentol > C32H54O11 > 614.37 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Other Steroid conjugates [ST0505] > - > (25S)-3-O-(beta-D-xylopyranosyl)-4beta,5beta-epoxycholestan-3beta,6beta,8,15alpha,16beta,26-hexol > SOVMHZODGWLPJC-HMRISKBOSA-N > InChI=1S/C32H54O11/c1-15(13-33)6-5-7-16(2)21-23(37)24(38)26-29(21,3)10-9-19-30(4)11-8-18(42-28-25(39)22(36)17(34)14-41-28)27-32(30,43-27)20(35)12-31(19,26)40/h15-28,33-40H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](CO)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)[C@]32O[C@H]3[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1 > - > - > - > - > - > - > 25232747 > - > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 136939 > 19059276 $$$$