Mrv1652304282219302D 22 24 0 0 1 0 999 V2000 -0.7145 -0.4125 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 0.0000 -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 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 1 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 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 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 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8163 -2.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -3.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -3.8065 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 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 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 2 0 0 0 0 1 6 1 0 0 0 0 6 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 5 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 4 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 11 20 1 0 0 0 0 7 21 1 6 0 0 0 3 22 1 0 0 0 0 M END > NP0072131 > NP-MRD > C[C@@H]1COC2=C(C)C(=O)[C@@](O)(CC(C)=O)C3=C(C)C=CC1=C23 > InChI=1S/C18H20O4/c1-9-5-6-13-10(2)8-22-16-12(4)17(20)18(21,7-11(3)19)15(9)14(13)16/h5-6,10,21H,7-8H2,1-4H3/t10-,18-/m1/s1 > UTWJVJSYBONGHX-MLCYQJTMSA-N > C18H20O4 > 300.354 > 300.136159124 > 4 > 42 > 31.851971445564878 > 1 > 1 > 0 > 1 > (4S,10R)-10-hydroxy-4,8,12-trimethyl-10-(2-oxopropyl)-2-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8-tetraen-11-one > 1.88 > 2.4053405259999985 > -3.57 > 0 > 3 > 0 > 15.863979497128835 > 12.043296479505159 > -4.091798404965432 > 63.6 > 84.7359 > 2 > 1 > 8.11e-02 g/l > (4S,10R)-10-hydroxy-4,8,12-trimethyl-10-(2-oxopropyl)-2-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8-tetraen-11-one > 0 > NP0072131 > (+)-Hibicuslide B $$$$