Mrv2104 12222312002D 27 27 0 0 1 0 999 V2000 0.7145 2.0625 0.0000 O 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 1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 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 -0.0000 0.0000 C 0 0 2 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 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 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 -0.0000 -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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 O 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 0.0000 0.8250 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 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 2 0 0 0 0 10 3 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 17 23 2 0 0 0 0 15 24 1 0 0 0 0 24 25 2 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > NP0332281 > NP-MRD > [H]\C(C)=C(/C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(=O)C(C)C)[C@@H]1C([H])(C)C > InChI=1S/C19H28O6/c1-7-12(6)19(23)24-14-8-13(9-20)16(21)17(15(14)10(2)3)25-18(22)11(4)5/h7-8,10-11,14-15,17,20H,9H2,1-6H3/b12-7-/t14-,15-,17+/m1/s1 > RRQFGVFSJAMXBA-UVDMBJKLSA-N > C19H28O6 > 352.427 > 352.188588622 > 4 > 53 > 38.14243306848525 > 1 > 1 > 0 > 1 > (1R,5S,6R)-3-(hydroxymethyl)-5-[(2-methylpropanoyl)oxy]-4-oxo-6-(propan-2-yl)cyclohex-2-en-1-yl (2Z)-2-methylbut-2-enoate > 3.534622184333334 > 0 > 1 > 0 > 17.73662573618039 > 14.947006894624376 > -2.8215531892938204 > 89.90000000000002 > 94.1853 > 8 > 1 > (1R,5S,6R)-3-(hydroxymethyl)-6-isopropyl-5-[(2-methylpropanoyl)oxy]-4-oxocyclohex-2-en-1-yl (2Z)-2-methylbut-2-enoate > 0 > NP0332281 > 3-angeloyloxy-5-isobutanoyloxy-7-hydroxycarvotacetone $$$$