Mrv1533005141513012D 55 55 0 0 0 0 999 V2000 -12.1460 23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 21.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 20.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 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 2 4 2 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 7 9 2 0 0 0 0 9 10 1 4 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 4 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 4 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 4 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 34 35 1 4 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 4 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 2 0 0 0 0 44 45 1 4 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 48 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 46 54 2 0 0 0 0 M CHG 1 50 -1 M END > NP0339750 > NP-MRD > CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C=CC(=C1)C([O-])=O > InChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/p-1 > YKKKMRBEPIZPBH-UHFFFAOYSA-M > C52H77O3 > 750.186 > 749.587819919 > 3 > 132 > 95.10457200417292 > 0 > 1 > -1 > 0 > 4-hydroxy-3-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)benzoate > 9.74 > 16.333544601666663 > -6.53 > 0 > 1 > -1 > 9.475161886890266 > 4.347914248684361 > -6.114865026961756 > 60.36 > 260.79580000000004 > 27 > 0 > 2.24e-04 g/l > 4-hydroxy-3-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)benzoate > 0 > NP0339750 > nonaprenyl-4-hydroxybenzoate $$$$