15071718 CDK 0720211221 40 41 0 0 0 0 0 0 0 0999 V2000 16.6542 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9398 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2253 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5108 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6542 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3688 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5108 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3688 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6542 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9398 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7963 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 17 1 1 1 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 14 4 1 6 0 0 0 15 5 1 1 0 0 0 16 6 1 6 0 0 0 18 7 1 1 0 0 0 20 8 1 6 0 0 0 21 9 1 1 0 0 0 10 23 1 0 0 0 0 10 29 1 0 0 0 0 11 24 1 0 0 0 0 12 29 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 6 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 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 M END > CHEBI:176872 > alpha,alpha'-Trehalose 6-palmitate > 2 > [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hexadecanoate > C28H52O12 > 580.712 > 580.34588 > 0 > O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCCCCCCCCCC)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO > InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(30)37-17-19-22(32)24(34)26(36)28(39-19)40-27-25(35)23(33)21(31)18(16-29)38-27/h18-19,21-29,31-36H,2-17H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 > VNHFMAKRYDWMAF-FJUFGMPQSA-N > C04265 $$$$