Mrv1652304282205442D 19 20 0 0 1 0 999 V2000 3.1701 -1.2843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4614 -0.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8173 0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8304 -1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 0.5267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9037 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.7889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6929 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 1.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 1.0312 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 1 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 6 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 9 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 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 1 16 1 1 0 0 0 15 17 1 1 0 0 0 10 18 1 1 0 0 0 9 19 1 0 0 0 0 M END > NP0058373 > NP-MRD > C[C@H]1[C@@H]2C[C@H](O)C(=C)CC[C@H](O)\C(C)=C\[C@@H]2OC1=O > InChI=1S/C15H22O4/c1-8-4-5-12(16)9(2)6-14-11(7-13(8)17)10(3)15(18)19-14/h6,10-14,16-17H,1,4-5,7H2,2-3H3/b9-6+/t10-,11-,12-,13-,14-/m0/s1 > VROLYSQPOBJAOX-KYKSVKERSA-N > C15H22O4 > 266.337 > 266.151809188 > 3 > 41 > 28.345354582957455 > 1 > 2 > 0 > 1 > (3S,3aS,5S,9S,11aR)-5,9-dihydroxy-3,10-dimethyl-6-methylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one > 1.17 > 1.2708234786666666 > -1.72 > 0 > 2 > 0 > 14.911881752767357 > 14.309568606189053 > -2.965965192888893 > 66.76 > 72.1015 > 0 > 1 > 5.02e+00 g/l > (3S,3aS,5S,9S,11aR)-5,9-dihydroxy-3,10-dimethyl-6-methylidene-3H,3aH,4H,5H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one > 0 > NP0058373 > (+)-Herbolide F $$$$