Mrv1533004171516362D 54 54 0 0 0 0 999 V2000 -15.0354 -2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6113 -2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8653 -2.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1872 -3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4412 -2.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7631 -3.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0171 -2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3390 -3.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5930 -2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9148 -3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1689 -3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4907 -3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 -3.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 -3.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3207 -3.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 -3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 -3.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 -3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 -4.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -3.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0195 -2.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 -4.1194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 -2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -0.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 0.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 0.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -1.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 -4.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 -5.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7999 -3.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -4.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -4.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 -4.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 -4.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 -4.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 -4.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4963 -4.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1744 -4.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 -4.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5985 -4.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -4.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 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 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 29 38 1 0 0 0 0 38 39 1 0 0 0 0 26 40 1 0 0 0 0 40 41 1 0 0 0 0 42 40 1 4 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 45 1 4 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > NP0330175 > NP-MRD > CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCC > InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52) > VZVSHAMCIFKUFY-UHFFFAOYSA-N > C44H83NO9 > 770.146 > 769.606783257 > 9 > 137 > 96.52732367065394 > 0 > 7 > 0 > 0 > 2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,8-dien-2-yl)docosanamide > 7.76 > 9.639806580666667 > -5.75 > 0 > 1 > 0 > 12.652249813214226 > 12.058321317608645 > -2.9810834177627976 > 168.94 > 219.20180000000002 > 36 > 0 > 1.38e-03 g/l > 2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,8-dien-2-yl)docosanamide > 0 > NP0330175 > 2-hydroxy-n-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,8-dien-2-yl)docosanimidic acid $$$$