Mrv1652304282211442D 18 20 0 0 1 0 999 V2000 4.7812 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.1729 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 9 11 1 1 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 8 15 1 1 0 0 0 5 16 1 1 0 0 0 16 17 1 0 0 0 0 3 18 1 0 0 0 0 M END > NP0065528 > NP-MRD > CC1=C2C[C@H]3[C@@H](C[C@@]2(CO)CCC1)OC(=O)C3=C > InChI=1S/C15H20O3/c1-9-4-3-5-15(8-16)7-13-11(6-12(9)15)10(2)14(17)18-13/h11,13,16H,2-8H2,1H3/t11-,13-,15-/m1/s1 > GNABOIBCDDJAMV-UXIGCNINSA-N > C15H20O3 > 248.322 > 248.141244504 > 2 > 38 > 27.230728157061016 > 1 > 1 > 0 > 1 > (3aR,8aS,9aR)-8a-(hydroxymethyl)-5-methyl-3-methylidene-2H,3H,3aH,4H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one > 1.56 > 1.975612670333334 > -2.51 > 0 > 3 > 0 > 15.056694546352144 > -2.7740018054255726 > 46.53 > 68.778 > 1 > 1 > 7.64e-01 g/l > (3aR,8aS,9aR)-8a-(hydroxymethyl)-5-methyl-3-methylidene-3aH,4H,6H,7H,8H,9H,9aH-naphtho[2,3-b]furan-2-one > 0 > NP0065528 > 14-Hydroxy-desoxyivangustin $$$$