Mrv1533004191515562D 45 47 0 0 0 0 999 V2000 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4282 2.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9585 1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4888 2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3012 2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5834 1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8315 3.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6440 2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1743 3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9868 3.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5171 4.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2689 2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6237 0.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 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 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 18 1 4 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 16 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 13 33 1 0 0 0 0 33 34 2 0 0 0 0 28 35 1 0 0 0 0 11 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 8 45 1 0 0 0 0 38 45 2 0 0 0 0 M END > NP0289916 > NP-MRD > CCCCCC(=O)C1=C(O)C(CC2=C(O)C(C)(CC=C(C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)=C(O)C2=C1OC(C)(C)C=C2 > InChI=1S/C37H48O8/c1-9-10-11-15-27(39)29-31(41)25(30(40)24-17-18-36(6,7)45-33(24)29)20-26-32(42)28(23(5)38)35(44)37(8,34(26)43)19-16-22(4)14-12-13-21(2)3/h13,16-18,40-41,43-44H,9-12,14-15,19-20H2,1-8H3 > YYYXTPLPLGBZQD-UHFFFAOYSA-N > C37H48O8 > 620.783 > 620.334918506 > 8 > 93 > 68.56128145264768 > 0 > 4 > 0 > 0 > 2-acetyl-4-(3,7-dimethylocta-2,6-dien-1-yl)-6-[(8-hexanoyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-6-yl)methyl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one > 5.70 > 8.030247404666667 > -5.27 > 1 > 3 > -2 > 5.505340208127052 > 3.1569279431946584 > -4.68064780092307 > 141.35999999999999 > 182.11290000000002 > 13 > 0 > 3.30e-03 g/l > 2-acetyl-4-(3,7-dimethylocta-2,6-dien-1-yl)-6-[(8-hexanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one > 0 > NP0289916 > 2-acetyl-4-(3,7-dimethylocta-2,6-dien-1-yl)-6-[(8-hexanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one $$$$