Mrv1652309072212432D 24 25 0 0 1 0 999 V2000 3.6229 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1313 -0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4448 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.0886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6325 1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 0.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 1.5011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8864 1.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6009 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0298 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 2.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 2.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 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 0 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 11 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 6 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0248454 > NP-MRD > CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H]2CC(=O)C(C\C=C\C=C)=C2C)C1(C)C > InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+/t16-,18-,19+/m1/s1 > ROVGZAWFACYCSP-PNUXCVTRSA-N > C21H28O3 > 328.452 > 328.203844762 > 2 > 52 > 38.59520458059944 > 1 > 0 > 0 > 1 > (1R)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate > 4.583406151 > 0 > 2 > 0 > 18.08814337117951 > -5.9525831235249695 > 43.370000000000005 > 99.02859999999998 > 7 > 1 > (1R)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate > 0 > NP0248454 > (1r)-2-methyl-4-oxo-3-[(2e)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1r,3r)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate $$$$