Mrv1652309042210012D 31 32 0 0 0 0 999 V2000 -2.8579 0.8250 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 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 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 -1.6500 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 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 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 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 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 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 O 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 -1.1270 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -6.6809 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 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 O 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 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 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 17 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 13 31 1 0 0 0 0 M END > NP0191171 > NP-MRD > CC(=O)OCC(\C=C\OC(C)=O)C1CC2OC2(CC\C=C(/C)CCC=C(C)C)C(=O)O1 > InChI=1S/C24H34O7/c1-16(2)8-6-9-17(3)10-7-12-24-22(31-24)14-21(30-23(24)27)20(15-29-19(5)26)11-13-28-18(4)25/h8,10-11,13,20-22H,6-7,9,12,14-15H2,1-5H3/b13-11+,17-10+ > IGPXFLTXUCMZOQ-CYEGXJDRSA-N > C24H34O7 > 434.529 > 434.230453435 > 4 > 65 > 48.17729181702538 > 1 > 0 > 0 > 1 > (1E)-4-(acetyloxy)-3-{1-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl}but-1-en-1-yl acetate > 3.378276445666665 > 0 > 2 > 0 > -4.3002791893439305 > 91.42999999999999 > 116.6207 > 13 > 1 > (1E)-4-(acetyloxy)-3-{1-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl}but-1-en-1-yl acetate > 0 > NP0191171 > (1e)-4-(acetyloxy)-3-{1-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl}but-1-en-1-yl acetate $$$$