Mrv1652304282204462D 22 21 0 0 1 0 999 V2000 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 1 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 1.7605 1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.7145 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 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 3.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 0.6039 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 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 2 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END > NP0057299 > NP-MRD > CC(C)=C[C@H](OC(C)=O)C(C)(C)[C@H](COC(C)=O)OC(C)=O > InChI=1S/C16H26O6/c1-10(2)8-14(21-12(4)18)16(6,7)15(22-13(5)19)9-20-11(3)17/h8,14-15H,9H2,1-7H3/t14-,15-/m0/s1 > YCPRKSWWEMVOBC-GJZGRUSLSA-N > C16H26O6 > 314.378 > 314.172938557 > 3 > 48 > 33.41732242167053 > 1 > 0 > 0 > 1 > (2R,4S)-1,4-bis(acetyloxy)-3,3,6-trimethylhept-5-en-2-yl acetate > 2.44 > 1.9370102493333334 > -3.23 > 0 > 0 > 0 > -6.530623905442864 > 78.9 > 80.3837 > 10 > 1 > 1.87e-01 g/l > (2R,4S)-1,4-bis(acetyloxy)-3,3,6-trimethylhept-5-en-2-yl acetate > 0 > NP0057299 > 3,3,6-Trimethyl-5-heptene-1,2,4-triol $$$$