Ketcher 05161811322D 1 1.00000 0.00000 0 66 72 0 1 0 999 V2000 10.4984 -6.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0714 -7.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4983 -8.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3522 -8.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7791 -7.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3522 -6.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 -5.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9415 -6.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7955 -6.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 -5.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7955 -4.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9415 -4.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6393 -5.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 -6.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 -7.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 -7.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -8.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 -8.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -6.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 -5.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4559 -6.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2796 -6.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -3.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9518 -2.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -7.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0341 -8.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7986 -5.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 -8.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -7.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5008 -6.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4073 -10.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5535 -10.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1354 -11.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5710 -12.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4249 -12.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8430 -11.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1879 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 -12.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 -11.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -10.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 -10.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 -11.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 -12.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -9.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3108 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 -12.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0213 -12.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6031 -13.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0389 -14.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8927 -14.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1457 -13.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7696 -13.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3509 -11.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -11.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3744 -15.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9025 -15.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 -11.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 -9.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -13.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0573 -9.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1751 -11.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8110 -11.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3098 -12.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 12 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 8 7 1 0 0 0 10 13 1 6 0 0 14 20 1 6 0 0 7 20 1 6 0 0 1 13 1 6 0 0 8 21 1 1 0 0 9 22 1 6 0 0 12 23 1 1 0 0 24 23 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 2 1 1 0 0 0 2 25 1 1 0 0 3 26 1 6 0 0 6 27 1 1 0 0 28 27 1 0 0 0 17 16 1 0 0 0 18 15 1 0 0 0 15 14 1 0 0 0 14 19 1 0 0 0 19 16 1 0 0 0 18 17 1 0 0 0 18 29 1 1 0 0 15 30 1 6 0 0 16 31 1 1 0 0 32 31 1 0 0 0 33 39 1 6 0 0 43 46 1 6 0 0 50 53 1 6 0 0 36 54 1 6 0 0 47 54 1 6 0 0 40 53 1 6 0 0 47 52 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 48 47 1 0 0 0 48 55 1 1 0 0 49 56 1 6 0 0 52 57 1 1 0 0 58 57 1 0 0 0 40 45 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 41 40 1 0 0 0 41 59 1 1 0 0 42 60 1 6 0 0 45 61 1 1 0 0 62 61 1 0 0 0 33 38 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 34 33 1 0 0 0 34 63 1 1 0 0 35 64 1 6 0 0 38 65 1 1 0 0 66 65 1 0 0 0 17 46 1 6 0 0 4 39 1 6 0 0 M END > CHEBI:40585 > alpha-cyclodextrin > A cycloamylose composed of six α-(1→4) linked D-glucopyranose units. > 3 > CHEBI:40581; CHEBI:23489; CHEBI:33103 > cyclohexaamylose; alpha-cyclodextrin; alpha-CD > cyclomaltohexaose > C36H60O30 > 972.845 > 972.31694 > 0 > [C@H]12O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]7[C@@H]([C@H]([C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2CO)[C@H](O7)CO)O)O)[C@H](O6)CO)O)O)[C@H](O5)CO)O)O)O)O)O)O > InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1 > HFHDHCJBZVLPGP-RWMJIURBSA-N > 79627 > 10016-20-3 > 35257 > 10016-20-3 > DB01909 > 10016-20-3 > ACX $$$$