16219598 -OEChem-04262420352D 131130 0 1 0 0 0 0 0999 V2000 24.5167 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.2487 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 0.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.7128 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9090 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6410 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5070 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9797 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1137 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0401 -0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4386 -1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3075 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5104 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3765 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.1735 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0395 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2425 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1970 -0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.8170 0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1116 1 0 0 0 0 2 34 1 0 0 0 0 2125 1 0 0 0 0 3 38 2 0 0 0 0 11 4 1 1 0 0 0 4 38 1 0 0 0 0 4103 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 11 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 12 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 34 1 0 0 0 0 11 58 1 0 0 0 0 12 20 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 14 16 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 17 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 18 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 17 19 1 0 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 21 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 22 1 0 0 0 0 19 75 1 0 0 0 0 19 76 1 0 0 0 0 20 24 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 23 1 0 0 0 0 21 77 1 0 0 0 0 21 78 1 0 0 0 0 22 25 1 0 0 0 0 22 79 1 0 0 0 0 22 80 1 0 0 0 0 23 26 1 0 0 0 0 23 81 1 0 0 0 0 23 82 1 0 0 0 0 24 28 1 0 0 0 0 24 83 1 0 0 0 0 24 84 1 0 0 0 0 25 27 1 0 0 0 0 25 85 1 0 0 0 0 25 86 1 0 0 0 0 26 29 1 0 0 0 0 26 87 1 0 0 0 0 26 88 1 0 0 0 0 27 30 1 0 0 0 0 27 89 1 0 0 0 0 27 90 1 0 0 0 0 28 31 1 0 0 0 0 28 91 1 0 0 0 0 28 92 1 0 0 0 0 29 32 1 0 0 0 0 29 93 1 0 0 0 0 29 94 1 0 0 0 0 30 33 1 0 0 0 0 30 95 1 0 0 0 0 30 96 1 0 0 0 0 31 35 1 0 0 0 0 31 97 1 0 0 0 0 31 98 1 0 0 0 0 32 37 1 0 0 0 0 32 99 1 0 0 0 0 32100 1 0 0 0 0 33 36 1 0 0 0 0 33101 1 0 0 0 0 33102 1 0 0 0 0 34104 1 0 0 0 0 34105 1 0 0 0 0 35 39 1 0 0 0 0 35106 1 0 0 0 0 35107 1 0 0 0 0 36 38 1 0 0 0 0 36108 1 0 0 0 0 36109 1 0 0 0 0 37 40 1 0 0 0 0 37110 1 0 0 0 0 37111 1 0 0 0 0 39 41 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 40 42 1 0 0 0 0 40114 1 0 0 0 0 40115 1 0 0 0 0 41 43 1 0 0 0 0 41117 1 0 0 0 0 41118 1 0 0 0 0 42 44 1 0 0 0 0 42119 1 0 0 0 0 42120 1 0 0 0 0 43 45 1 0 0 0 0 43121 1 0 0 0 0 43122 1 0 0 0 0 44 46 1 0 0 0 0 44123 1 0 0 0 0 44124 1 0 0 0 0 45126 1 0 0 0 0 45127 1 0 0 0 0 45128 1 0 0 0 0 46129 1 0 0 0 0 46130 1 0 0 0 0 46131 1 0 0 0 0 M END > 16219598 > 1 > 583 > 3 > 3 > 39 > AAADcfB+MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACDzhgAYCAALAAgAIAAEQEAAAAAAAAAAAAIEIAAACEBIAgAAEQAAFFgCQAAGYyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]tetracosanamide > N-[(2R,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide > N-[(2R,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide > N-[(2R,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide > N-[(2R,3R)-1,3-bis(oxidanyl)octadecan-2-yl]tetracosanamide > N-[(1R,2R)-2-hydroxy-1-methylol-heptadecyl]lignoceramide > InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41-/m1/s1 > BPLYVSYSBPLDOA-GYOJGHLZSA-N > 17.7 > 651.65294557 > C42H85NO3 > 652.1 > CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)O > CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](CCCCCCCCCCCCCCC)O > 69.6 > 651.65294557 > 0 > 46 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 6 1 6 11 4 5 $$$$