Mrv1652304282205572D 20 22 0 0 1 0 999 V2000 2.6946 1.7681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5196 1.7681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9321 1.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5196 0.3391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6946 0.3391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2821 1.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4752 0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 1.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0717 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8253 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -0.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 0.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9321 2.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 2.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 2.2053 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 1 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 6 7 1 1 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 5 11 1 1 0 0 0 4 12 1 6 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 3 16 1 6 0 0 0 2 17 1 1 0 0 0 1 18 1 6 0 0 0 18 19 2 0 0 0 0 1 20 1 1 0 0 0 M END > NP0058616 > NP-MRD > C[C@]1(C=C)[C@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@@H](OC(=O)C2=C)[C@@H]1O > InChI=1S/C15H16O5/c1-5-15(4)9-7(3)14(18)19-10(9)8-6(2)13(17)20-11(8)12(15)16/h5,8-12,16H,1-3H2,4H3/t8-,9-,10-,11-,12+,15+/m1/s1 > JPVFFTCWLSSWNA-WVAGZLMXSA-N > C15H16O5 > 276.288 > 276.099773615 > 3 > 36 > 27.092882511164532 > 1 > 1 > 0 > 1 > (1R,2S,6R,7S,8R,9R)-7-ethenyl-8-hydroxy-7-methyl-5,12-dimethylidene-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecane-4,11-dione > 0.84 > 1.4210060783333334 > -1.99 > 0 > 3 > 0 > 13.634137955859917 > -3.396228058106871 > 72.83000000000001 > 68.9699 > 1 > 1 > 2.83e+00 g/l > (1R,2S,6R,7S,8R,9R)-7-ethenyl-8-hydroxy-7-methyl-5,12-dimethylidene-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecane-4,11-dione > 0 > NP0058616 > Zinniadilactone $$$$