Mrv1533004171521042D 27 28 0 0 0 0 999 V2000 0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 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 0.7145 -5.3625 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 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 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 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 O 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 1.4289 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 2.1434 1.2375 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 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 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 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 7 8 1 4 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 14 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 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 10 25 1 0 0 0 0 18 25 2 0 0 0 0 6 26 1 0 0 0 0 2 27 1 0 0 0 0 M END > NP0197285 > NP-MRD > CC(C)=CCCC(C)=CCOC1=CC(O)=C(C(C)=O)C2=C1C=CC(C)(C)O2 > InChI=1S/C23H30O4/c1-15(2)8-7-9-16(3)11-13-26-20-14-19(25)21(17(4)24)22-18(20)10-12-23(5,6)27-22/h8,10-12,14,25H,7,9,13H2,1-6H3 > DPMHJMPSIKBEBR-UHFFFAOYSA-N > C23H30O4 > 370.489 > 370.214409446 > 4 > 57 > 43.21891851304895 > 1 > 1 > 0 > 0 > 1-{5-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-7-hydroxy-2,2-dimethyl-2H-chromen-8-yl}ethan-1-one > 5.26 > 5.641240514000001 > -5.26 > 0 > 2 > 0 > 16.114889945689423 > 9.330395505006972 > -4.637310717745757 > 55.760000000000005 > 112.21910000000001 > 7 > 0 > 2.04e-03 g/l > 1-{5-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-7-hydroxy-2,2-dimethylchromen-8-yl}ethanone > 0 > NP0197285 > 1-{5-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-7-hydroxy-2,2-dimethylchromen-8-yl}ethanone $$$$