Mrv1652309112222052D 49 49 0 0 0 0 999 V2000 31.9460 -11.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5335 -10.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7085 -10.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2960 -11.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4710 -11.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0585 -11.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2335 -11.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8210 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9960 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5835 -13.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7585 -13.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3460 -13.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5210 -13.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1085 -14.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2835 -14.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8710 -15.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0460 -15.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6335 -16.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8085 -16.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3960 -16.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5710 -16.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1585 -17.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3335 -17.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9210 -18.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 -18.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6835 -18.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 -18.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 -19.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 -20.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 -19.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2085 -20.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3835 -20.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7335 -21.7520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 -21.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2085 -21.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 -9.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7710 -9.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1835 -8.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0085 -8.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4210 -8.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4210 -9.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2460 -9.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0085 -10.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4210 -11.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1835 -10.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7710 -11.0349 0.0000 O 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 4 3 1 4 0 0 0 4 5 2 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 8 7 1 4 0 0 0 8 9 2 0 0 0 0 10 9 1 4 0 0 0 10 11 2 0 0 0 0 12 11 1 4 0 0 0 12 13 2 0 0 0 0 14 13 1 4 0 0 0 14 15 2 0 0 0 0 16 15 1 4 0 0 0 16 17 2 0 0 0 0 18 17 1 4 0 0 0 18 19 2 0 0 0 0 20 19 1 4 0 0 0 20 21 2 0 0 0 0 22 21 1 4 0 0 0 22 23 2 0 0 0 0 24 23 1 4 0 0 0 24 25 2 0 0 0 0 26 25 1 4 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 4 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 31 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 2 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 40 48 1 0 0 0 0 48 49 1 0 0 0 0 M END > NP0319179 > NP-MRD > CC(CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC(O)=NC(CCCN)C(O)=O)OC1OC(C)C(O)C(O)C1O > InChI=1S/C39H52N2O8/c1-31(48-39-37(45)36(44)35(43)32(2)49-39)27-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29-34(42)41-33(38(46)47)28-26-30-40/h3-25,29,31-33,35-37,39,43-45H,26-28,30,40H2,1-2H3,(H,41,42)(H,46,47) > PPFISAQUKQQDHW-UHFFFAOYSA-N > C39H52N2O8 > 676.851 > 676.372366642 > 10 > 101 > 81.49796708328428 > 0 > 6 > 0 > 0 > 5-amino-2-({1-hydroxy-27-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaen-1-ylidene}amino)pentanoic acid > 2.822898863255368 > 0 > 1 > 0 > 6.527415743331555 > 3.904613553097053 > 10.20118040830885 > 175.06 > 208.81790000000012 > 21 > 0 > 5-amino-2-({1-hydroxy-27-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaen-1-ylidene}amino)pentanoic acid > 0 > NP0319179 > 5-amino-2-({1-hydroxy-27-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaen-1-ylidene}amino)pentanoic acid $$$$