Mrv1652309042202172D 32 35 0 0 1 0 999 V2000 1.8276 -4.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -4.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 -3.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -2.7373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5339 -2.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -1.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -1.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -0.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 -0.8838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1067 -0.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -1.3870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6324 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3219 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 0.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 -2.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5612 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9742 -1.8145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7873 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4895 -2.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 -2.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 -3.5249 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 4 3 1 1 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 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 11 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 15 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 20 25 1 0 0 0 0 14 26 1 0 0 0 0 4 26 1 0 0 0 0 26 27 1 6 0 0 0 11 28 1 0 0 0 0 4 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 M END > NP0185013 > NP-MRD > COC1=C2OCOC2=CC(=C1)[C@@H]1[C@@H](C)[C@@]2(CC=C)C=C(OC)C(=O)[C@]1(OC)[C@@H]2OC(C)=O > InChI=1S/C24H28O8/c1-7-8-23-11-18(28-5)21(26)24(29-6,22(23)32-14(3)25)19(13(23)2)15-9-16(27-4)20-17(10-15)30-12-31-20/h7,9-11,13,19,22H,1,8,12H2,2-6H3/t13-,19+,22-,23-,24+/m1/s1 > COPLEPGVXBXNMK-MFARRDMHSA-N > C24H28O8 > 444.48 > 444.178417862 > 7 > 60 > 46.05499290121402 > 1 > 0 > 0 > 1 > (1S,5R,6S,7R,8R)-3,5-dimethoxy-6-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-yl acetate > 2.8449446793333335 > 1 > 4 > 0 > -3.995902265451799 > 89.52000000000001 > 115.1109 > 8 > 1 > (1S,5R,6S,7R,8R)-3,5-dimethoxy-6-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-yl acetate > 0 > NP0185013 > (1s,5r,6s,7r,8r)-3,5-dimethoxy-6-(7-methoxy-2h-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-yl acetate $$$$