Mrv1533004171513092D 27 30 0 0 0 0 999 V2000 2.7580 1.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 0.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 -0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 -0.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 -1.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 -0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 -1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 -1.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -2.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -3.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -3.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -4.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 -2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 -2.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 -1.4915 0.0000 O 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 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 19 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > NP0329732 > NP-MRD > CC1=CC2OC(=O)C(=C)C2CC2C1CCC2(C)OC1OCC(O)C(O)C1O > InChI=1S/C20H28O7/c1-9-6-15-12(10(2)18(24)26-15)7-13-11(9)4-5-20(13,3)27-19-17(23)16(22)14(21)8-25-19/h6,11-17,19,21-23H,2,4-5,7-8H2,1,3H3 > HAJFFIWQPAZQOS-UHFFFAOYSA-N > C20H28O7 > 380.437 > 380.183503242 > 6 > 55 > 40.13838544015327 > 1 > 3 > 0 > 1 > 5,8-dimethyl-3-methylidene-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-2-one > 0.45 > 0.9872131593333324 > -2.20 > 0 > 4 > 0 > 13.4030918696089 > 12.245847383431421 > -3.5265808571127764 > 105.45000000000002 > 95.3223 > 2 > 1 > 2.40e+00 g/l > 5,8-dimethyl-3-methylidene-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3aH,4H,4aH,6H,7H,7aH,9aH-azuleno[6,5-b]furan-2-one > 0 > NP0329732 > 5,8-dimethyl-3-methylidene-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one $$$$