69270670 -OEChem-05082421522D 66 66 0 1 0 0 0 0 0999 V2000 6.3301 4.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 4.0412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 5.0412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 5.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 5.0412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9641 2.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -5.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 3.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 2.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 6.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 6.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 1.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 2.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 0.4756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -0.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -1.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -2.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -2.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -2.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -3.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -2.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -3.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -4.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -5.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -4.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -5.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -6.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -7.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -7.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 1 0 0 0 2 41 1 0 0 0 0 10 3 1 1 0 0 0 3 44 1 0 0 0 0 11 4 1 6 0 0 0 4 45 1 0 0 0 0 5 15 1 0 0 0 0 5 52 1 0 0 0 0 6 19 2 0 0 0 0 9 7 1 6 0 0 0 7 19 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 1 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 M END > 69270670 > 1 > 421 > 6 > 5 > 13 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzhgAYCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAHQAAHFgCXAAHw8KcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[(2R,3R,4R,5S,6R)-2-dodecyl-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide > N-[(2R,3R,4R,5S,6R)-2-dodecyl-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide > N-[(2R,3R,4R,5S,6R)-2-dodecyl-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > N-[(2R,3R,4R,5S,6R)-2-dodecyl-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > N-[(2R,3R,4R,5S,6R)-2-dodecyl-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide > N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-2-lauryl-6-methylol-tetrahydropyran-3-yl]acetamide > InChI=1S/C20H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-20(26)19(21-15(2)23)18(25)17(24)16(14-22)27-20/h16-19,22,24-26H,3-14H2,1-2H3,(H,21,23)/t16-,17-,18+,19-,20-/m1/s1 > DKXBGJLCEOFIRV-OUUBHVDSSA-N > 3.4 > 389.27773796 > C20H39NO6 > 389.5 > CCCCCCCCCCCCC1(C(C(C(C(O1)CO)O)O)NC(=O)C)O > CCCCCCCCCCCC[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O > 119 > 389.27773796 > 0 > 27 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 15 5 8 2 5 10 3 5 11 4 6 9 7 6 $$$$