Mrv1652309112204582D 27 28 0 0 0 0 999 V2000 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -12.7875 0.0000 O 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 7.1447 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 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 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 15 23 1 0 0 0 0 5 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > NP0308858 > NP-MRD > COC1CC(CCC1O)\C=C\C(=O)CC(=O)\C=C\C1=CC=C(O)C(OC)=C1 > InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-5,7-9,11,15,19,21,24-25H,6,10,12-13H2,1-2H3/b7-3+,8-4+ > ZKBNYLVSRPPXGJ-FCXRPNKRSA-N > C21H26O6 > 374.433 > 374.172938557 > 6 > 53 > 40.37718376831556 > 1 > 2 > 0 > 1 > (1E,6E)-1-(4-hydroxy-3-methoxycyclohexyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 3.152329389000001 > 0 > 2 > 0 > 9.911351637915455 > 9.23635864687516 > -3.148824422998623 > 93.06000000000002 > 104.2041 > 8 > 1 > (1E,6E)-1-(4-hydroxy-3-methoxycyclohexyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 0 > NP0308858 > (1e,6e)-1-(4-hydroxy-3-methoxycyclohexyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione $$$$