Mrv0541 02231215492D 66 72 0 0 1 0 999 V2000 3.6298 -1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 -2.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 -2.0140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1426 -1.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 -0.8351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8211 -0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 0.5868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3179 1.4285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5752 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 2.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 1.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 1.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6178 1.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4781 1.4321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1772 1.9046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0998 2.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7652 3.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9297 1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 0.7278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4566 -0.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7605 -0.8303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0952 -1.3374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3463 -1.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6901 -1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1773 -2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9205 -2.5163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4988 -3.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9423 -3.9381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1705 -3.6156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0779 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 -2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 -4.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5623 -4.9197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7021 -4.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.7835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1427 -5.2560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2200 -6.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -6.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 -4.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -4.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8633 -3.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -2.5211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8006 -2.1519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1353 -2.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.3391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0445 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -3.6145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9122 -2.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -3.9539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3916 -3.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 -5.2703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4371 -6.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 -4.7799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7446 -5.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6163 -2.0123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3644 -2.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5192 -1.1995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1846 -0.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 0.2632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4076 -0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 0.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9283 0.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 0.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5592 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 0.2642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2419 -0.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 26 25 1 6 0 0 0 26 27 1 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 33 32 1 6 0 0 0 33 34 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 6 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 42 41 1 1 0 0 0 3 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 6 0 0 0 43 45 1 0 0 0 0 5 45 1 0 0 0 0 45 46 1 1 0 0 0 40 47 1 0 0 0 0 47 48 1 6 0 0 0 47 49 1 0 0 0 0 35 49 1 0 0 0 0 49 50 1 1 0 0 0 33 51 1 0 0 0 0 51 52 1 1 0 0 0 51 53 1 0 0 0 0 28 53 1 0 0 0 0 53 54 1 6 0 0 0 26 55 1 0 0 0 0 55 56 1 1 0 0 0 55 57 1 0 0 0 0 21 57 1 0 0 0 0 57 58 1 6 0 0 0 19 59 1 0 0 0 0 59 60 1 6 0 0 0 59 61 1 0 0 0 0 14 61 1 0 0 0 0 61 62 1 1 0 0 0 12 63 1 0 0 0 0 63 64 1 6 0 0 0 63 65 1 0 0 0 0 7 65 1 0 0 0 0 65 66 1 1 0 0 0 M END > T3D4760 > t3db > OC[C@H]1O[C@H]2O[C@@H]3[C@H](CO)O[C@@H](O[C@@H]4[C@H](CO)O[C@@H](O[C@@H]5[C@H](CO)O[C@@H](O[C@@H]6[C@H](CO)O[C@@H](O[C@@H]7[C@H](CO)O[C@@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O > 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-/m0/s1 > HFHDHCJBZVLPGP-KREQUGERSA-N > C36H60O30 > 972.8436 > 972.31694058 > 30 > 90.35599204328264 > 0 > 18 > 0 > 0 > (1S,3S,5R,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol > -2.37 > -10.625013874 > -0.09 > 1 > 7 > 0 > 11.93902132267493 > 11.559622382619425 > -3.6854877292317454 > 474.9000000000001 > 194.47980000000004 > 6 > 0 > 7.92e+02 g/l > (1S,3S,5R,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol > 0 > T3D4760 > Alpha-Cyclodextrin (Cyclohexa-Amylose) > 10016-20-3 > Organic Compound; Food Toxin; Plant Toxin; Natural Compound $$$$