Marvin 03161115502D 50 54 0 0 1 0 999 V2000 7.5800 -17.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3132 -17.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -17.6373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7550 -18.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -17.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2884 -17.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -16.3541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2884 -15.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -15.8958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5800 -16.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -15.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8046 -15.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8046 -15.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3381 -15.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0714 -16.3541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6048 -16.3541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0714 -14.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3381 -15.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0714 -17.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6048 -17.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3381 -17.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8046 -14.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6048 -15.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7799 -15.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7799 -17.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 -16.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 -17.2707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0714 -15.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3381 -16.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8046 -16.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6764 -14.7876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2151 -15.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 -16.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6764 -13.8711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2347 -13.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4097 -13.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9432 -13.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 -13.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7012 -13.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4346 -13.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7012 -14.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4097 -14.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -14.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9014 -13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9014 -14.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -13.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -15.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 -13.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -15.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 10 1 1 0 0 0 0 27 2 1 1 0 0 0 3 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 9 11 1 1 0 0 0 17 12 1 0 0 0 0 12 22 1 1 0 0 0 13 30 1 6 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 15 14 1 0 0 0 0 14 29 1 6 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 15 28 1 1 0 0 0 20 16 1 0 0 0 0 16 23 1 1 0 0 0 24 16 1 0 0 0 0 18 17 1 0 0 0 0 21 19 1 0 0 0 0 25 20 1 0 0 0 0 21 20 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 27 26 1 0 0 0 0 31 12 1 0 0 0 0 13 12 1 0 0 0 0 32 31 1 0 0 0 0 33 13 1 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 31 42 1 6 0 0 0 36 34 1 0 0 0 0 34 37 1 6 0 0 0 36 35 1 0 0 0 0 38 35 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 39 1 0 0 0 0 11 43 1 0 0 0 0 45 44 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 43 47 1 0 0 0 0 48 46 1 0 0 0 0 49 48 1 0 0 0 0 47 50 2 0 0 0 0 M END > CHEBI:61651 > cholesteryl 6-O-hexanoyl-beta-D-galactoside > A cholesteryl 6-O-acyl-β-D-galactoside having hexanoyl as the 6-O-acyl group. > 3 > cholesteryl 6-O-hexanoyl-beta-D-galactopyranoside; cholest-5-en-3beta-yl 6-O-hexanoyl-beta-D-galactoside; ACGal C6 > cholest-5-en-3beta-yl 6-O-hexanoyl-beta-D-galactopyranoside > C39H66O7 > 646.93710 > 646.48085 > 0 > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](COC(=O)CCCCC)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)CCCC(C)C > InChI=1S/C39H66O7/c1-7-8-9-13-33(40)44-23-32-34(41)35(42)36(43)37(46-32)45-27-18-20-38(5)26(22-27)14-15-28-30-17-16-29(25(4)12-10-11-24(2)3)39(30,6)21-19-31(28)38/h14,24-25,27-32,34-37,41-43H,7-13,15-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,32-,34+,35+,36-,37-,38+,39-/m1/s1 > CLGXFDGYJMSPIK-ZREMQSMSSA-N > 20379965 > 20143357 $$$$