Mrv1533004251510192D 24 23 0 0 0 0 999 V2000 4.5375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 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 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1434 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 4 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 2 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 16 1 4 0 0 0 17 18 2 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END > NP0204141 > NP-MRD > CC(=O)OCC=C(C)CCC=C(C)C(O)CC=C(C)COC(C)=O > InChI=1S/C19H30O5/c1-14(11-12-23-17(4)20)7-6-8-16(3)19(22)10-9-15(2)13-24-18(5)21/h8-9,11,19,22H,6-7,10,12-13H2,1-5H3 > MKBFOZIRSDHHCO-UHFFFAOYSA-N > C19H30O5 > 338.444 > 338.209324066 > 3 > 54 > 39.67855328151228 > 1 > 1 > 0 > 1 > 12-(acetyloxy)-5-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetate > 3.90 > 2.532766168 > -4.56 > 0 > 0 > 0 > 18.181761164173402 > -1.4070954729854406 > 72.83000000000001 > 96.57789999999999 > 12 > 1 > 9.24e-03 g/l > 12-(acetyloxy)-5-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetate > 0 > NP0204141 > 12-(acetyloxy)-5-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetate $$$$