Mrv1652304282205332D 17 18 0 0 1 0 999 V2000 0.5890 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -2.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -2.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 1.0893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9239 0.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7085 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1062 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7193 0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 -0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 2 0 0 0 0 2 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 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 9 17 1 6 0 0 0 M END > NP0058197 > NP-MRD > CC(C)CC(=O)[C@H]1[C@@H](C)CC=C1C1=COC=C1 > InChI=1S/C15H20O2/c1-10(2)8-14(16)15-11(3)4-5-13(15)12-6-7-17-9-12/h5-7,9-11,15H,4,8H2,1-3H3/t11-,15-/m0/s1 > UJBABOUNEFANNJ-NHYWBVRUSA-N > C15H20O2 > 232.323 > 232.146329884 > 1 > 37 > 26.54899838430601 > 1 > 0 > 0 > 1 > 1-[(1S,5S)-2-(furan-3-yl)-5-methylcyclopent-2-en-1-yl]-3-methylbutan-1-one > 3.87 > 3.788578507 > -3.74 > 0 > 2 > 0 > 16.54874353187299 > -2.8485450128607974 > 30.21 > 69.1281 > 4 > 1 > 4.27e-02 g/l > 1-[(1S,5S)-2-(furan-3-yl)-5-methylcyclopent-2-en-1-yl]-3-methylbutan-1-one > 1 > NP0058197 > Isomyodesmone $$$$