Mrv1652304282205332D 18 19 0 0 1 0 999 V2000 -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 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 1.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5391 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 2.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4211 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 2.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2486 2.6153 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 4 3 1 6 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 4 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 4 10 1 0 0 0 0 10 11 2 0 0 0 0 7 12 1 1 0 0 0 12 13 2 0 0 0 0 7 14 1 6 0 0 0 2 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > NP0058179 > NP-MRD > CC[C@H](C)C1=CC(=O)[C@]2(O1)C(=O)OC[C@]2(C)C=C > InChI=1S/C14H18O4/c1-5-9(3)10-7-11(15)14(18-10)12(16)17-8-13(14,4)6-2/h6-7,9H,2,5,8H2,1,3-4H3/t9-,13-,14-/m0/s1 > QQXSQPKEGWRLPS-HERUPUMHSA-N > C14H18O4 > 250.294 > 250.12050906 > 3 > 36 > 25.81720097287573 > 1 > 0 > 0 > 1 > (5S,9S)-2-[(2S)-butan-2-yl]-9-ethenyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione > 2.15 > 2.7075806546666663 > -3.09 > 0 > 2 > 0 > -4.921126982552291 > 52.6 > 67.4427 > 3 > 1 > 2.05e-01 g/l > (5S,9S)-2-[(2S)-butan-2-yl]-9-ethenyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione > 0 > NP0058179 > Hyperolactone A $$$$