Mrv1652306242119513D 35 36 0 0 0 0 999 V2000 4.4330 0.9689 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 0.2813 0.5382 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0495 0.3206 -0.4555 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8919 -0.3800 0.2208 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3227 -0.0791 -0.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.5589 0.5890 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4873 1.9173 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6001 2.2365 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5399 1.1689 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 1.3049 -1.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5329 -0.0633 0.0178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6729 -1.2261 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 -0.2905 0.8853 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1933 -1.8303 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -2.1849 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -1.1635 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -1.4690 1.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 1.7621 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 0.1774 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0257 1.3301 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 0.8051 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 -0.3141 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 1.3536 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 -0.0372 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 0.6497 1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 2.7141 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 3.2616 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -0.0988 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 -1.2646 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -0.9070 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -2.1565 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -0.1789 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -1.3602 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -2.5820 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 -3.2250 0.5512 H 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 6 7 1 0 0 0 0 7 8 2 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 1 0 0 0 0 11 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 2 1 0 0 0 0 13 6 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 1 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 1 0 0 0 6 25 1 1 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 11 28 1 1 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 M END > NP0013986 > NP-MRD > [H]C1=C([H])[C@]([H])(O[C@@]2([H])C([H])=C([H])C(=O)[C@@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[C@@]([H])(C1=O)C([H])([H])[H] > InChI=1S/C14H18O3/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-6,9-12H,7-8H2,1-2H3/t9-,10-,11-,12-/m0/s1 > AJRXCMFONRLPJH-BJDJZHNGSA-N > C14H18O3 > 234.295 > 234.12559444 > 3 > 35 > 24.989086288990098 > 1 > 0 > 0 > 1 > (4R,6S)-6-methyl-4-{[(1R,5S)-5-methyl-4-oxocyclohex-2-en-1-yl]oxy}cyclohex-2-en-1-one > 1.93 > 2.758089503666666 > -2.96 > 0 > 2 > 0 > 19.53202541312629 > 18.78516511712066 > -4.197979549477047 > 43.370000000000005 > 67.35130000000001 > 2 > 1 > 2.55e-01 g/l > (4R,6S)-6-methyl-4-{[(1R,5S)-5-methyl-4-oxocyclohex-2-en-1-yl]oxy}cyclohex-2-en-1-one > 0 > NP0013986 > Epoxydine A $$$$