Mrv1652306292223382D 19 20 0 0 1 0 999 V2000 2.0393 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 1.2038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7958 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -0.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 2.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 1.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4240 0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 0.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 2.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > NP0140525 > NP-MRD > CO[C@H]1\C=C/C(=C)CC2=C(C(C)=CO2)C(=O)C[C@@H]1C > InChI=1S/C16H20O3/c1-10-5-6-14(18-4)11(2)8-13(17)16-12(3)9-19-15(16)7-10/h5-6,9,11,14H,1,7-8H2,2-4H3/b6-5-/t11-,14-/m0/s1 > KYVMPRMAGALGDM-NCETYUCASA-N > C16H20O3 > 260.333 > 260.141244504 > 2 > 39 > 28.368740340643143 > 1 > 0 > 0 > 1 > (6S,7R)-7-methoxy-3,6-dimethyl-10-methylidene-4H,5H,6H,7H,10H,11H-cyclodeca[b]furan-4-one > 2.71 > 2.831899793333333 > -3.84 > 0 > 2 > 0 > 14.6736904887691 > -2.9087407718457703 > 39.44 > 76.49780000000001 > 1 > 1 > 3.75e-02 g/l > (6S,7R)-7-methoxy-3,6-dimethyl-10-methylidene-5H,6H,7H,11H-cyclodeca[b]furan-4-one > 1 > NP0140525 > (1E)-3-methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-one $$$$