Mrv1652306242119503D 43 43 0 0 0 0 999 V2000 1.8624 -2.2541 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 -1.0802 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 -0.4860 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 -0.0142 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 0.5257 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 1.2752 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 1.8118 0.6493 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9362 2.9741 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8297 0.7437 0.0678 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1648 1.1346 0.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8895 0.2283 0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4758 0.5695 -1.3771 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2800 -0.4550 -1.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0454 0.2176 -1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 -0.3490 -2.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -0.2350 -1.1743 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0277 -0.7621 -0.9201 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3656 -0.7250 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 -0.0366 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 0.0311 2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 0.6614 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 -2.7843 0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 -2.7074 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 1.5120 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2543 2.0340 1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 3.2660 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 -0.1956 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9499 0.5788 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8862 -0.8014 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5495 0.1785 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 1.4834 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 -0.8863 -2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.8237 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -0.2058 -2.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8095 -0.1885 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1664 -1.8099 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -1.2068 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9613 -0.1047 3.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 -0.7568 2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 1.0280 2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 1.2223 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7059 -0.0414 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6571 1.4310 -0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 3 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 3 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 14 5 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 1 0 0 0 8 26 1 0 0 0 0 9 27 1 1 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 6 0 0 0 13 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > NP0013834 > NP-MRD > [H]O[C@]1([H])C([H])=C(C#CC(=C([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=O)[C@@]([H])(O[H])[C@]1([H])OC([H])([H])[H] > InChI=1S/C17H22O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14,16-18,20H,3,5,7H2,1-2,4H3/t14-,16-,17-/m1/s1 > JKVHMQFXNMEOSL-DJIMGWMZSA-N > C17H22O4 > 290.359 > 290.151809188 > 4 > 43 > 32.933335728785416 > 1 > 2 > 0 > 1 > (4R,5R,6S)-4,6-dihydroxy-5-methoxy-2-(7-methyl-3-methylideneoct-6-en-1-yn-1-yl)cyclohex-2-en-1-one > 1.69 > 2.177229292666667 > -3.76 > 0 > 1 > 0 > 13.757190669996696 > 12.25741607726825 > -3.4005632234956185 > 66.76 > 83.80329999999998 > 6 > 1 > 5.08e-02 g/l > (4R,5R,6S)-4,6-dihydroxy-5-methoxy-2-(7-methyl-3-methylideneoct-6-en-1-yn-1-yl)cyclohex-2-en-1-one > 0 > NP0013834 > Phomentrioloxin B $$$$