Mrv1652304282205432D 27 30 0 0 1 0 999 V2000 1.9606 -0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2187 0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 1.3072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5855 0.9464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6440 0.1235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3638 -0.3518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4445 -1.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7611 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 -1.1616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0345 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 -0.5720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1708 -0.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4808 0.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 -1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -0.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 0.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 2.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 2.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 3.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 3.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 3.7759 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 1 0 0 0 0 4 5 1 0 0 0 0 5 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 1 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 8 15 1 0 0 0 0 7 15 1 1 0 0 0 8 16 1 1 0 0 0 6 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 5 20 1 1 0 0 0 20 21 2 0 0 0 0 4 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M END > NP0058361 > NP-MRD > CO[C@H]1O[C@H]2C[C@@]3(C)O[C@@H]3[C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC1=C2)OC(=O)C(C)=C > InChI=1S/C20H24O7/c1-9(2)17(21)25-13-7-11-6-12(24-19(11)23-5)8-20(4)16(27-20)15-14(13)10(3)18(22)26-15/h6,12-16,19H,1,3,7-8H2,2,4-5H3/t12-,13+,14-,15+,16-,19+,20-/m1/s1 > QGGGTLQHMHIOKZ-VLCBXQEZSA-N > C20H24O7 > 376.405 > 376.152203113 > 5 > 51 > 38.556503502885114 > 1 > 0 > 0 > 1 > (1S,3R,5R,6S,10R,11S,14S)-14-methoxy-3-methyl-9-methylidene-8-oxo-4,7,15-trioxatetracyclo[11.2.1.0^{3,5}.0^{6,10}]hexadec-13(16)-en-11-yl 2-methylprop-2-enoate > 1.23 > 2.4086629429999986 > -2.61 > 0 > 4 > 0 > -3.8379025532804927 > 83.59 > 93.7975 > 4 > 1 > 9.28e-01 g/l > (1S,3R,5R,6S,10R,11S,14S)-14-methoxy-3-methyl-9-methylidene-8-oxo-4,7,15-trioxatetracyclo[11.2.1.0^{3,5}.0^{6,10}]hexadec-13(16)-en-11-yl 2-methylprop-2-enoate > 0 > NP0058361 > Orthopappolide methacrylate $$$$