Mrv1652306212100433D 72 74 0 0 0 0 999 V2000 -6.1040 5.0618 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8295 5.7656 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3173 6.7518 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 7.5141 1.6042 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1751 7.7515 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 8.7859 2.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3297 6.7752 2.7484 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2849 7.6383 3.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 6.3758 3.7599 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 5.3735 3.2965 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5252 4.0015 3.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 3.5555 4.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1824 3.2852 2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 1.9876 2.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 1.3636 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 0.0686 1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 -0.5550 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -1.8506 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -2.4715 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -3.7743 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 -4.5556 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 -4.2004 -2.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 -5.4696 -3.1845 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2823 -6.6302 -3.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -5.7816 -2.5190 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1639 -6.8836 -3.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -6.6308 -4.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -7.3401 -5.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 -5.3232 -4.5627 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1757 -5.0393 -5.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -4.2883 -4.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 -3.4010 -4.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -4.5391 -2.7937 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0405 -4.7916 -2.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9402 3.9866 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5141 5.4357 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8636 5.2146 2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 7.0623 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 8.2566 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 6.8127 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 8.4110 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0123 8.6080 2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 5.8841 2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 7.9711 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 7.0678 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 8.5155 3.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 5.3767 4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 3.5121 5.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 4.2643 5.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 2.5702 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3864 3.7093 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 1.5066 3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 1.8306 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 -0.3984 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -0.0857 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4143 -2.3031 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 -1.9617 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3276 -4.6163 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -5.5896 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -4.0841 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2592 -3.5565 -3.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -6.8200 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6853 -7.5773 -3.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 -6.3984 -3.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 -6.0736 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -4.0688 -5.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -5.0172 -6.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 -5.8114 -5.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 -3.6975 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3222 -5.1624 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3789 -5.5143 -3.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 -3.8626 -2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 23 22 1 1 0 0 0 3 2 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 20 21 1 0 0 0 0 4 7 1 0 0 0 0 23 25 1 0 0 0 0 14 15 2 0 0 0 0 23 24 1 0 0 0 0 7 9 1 0 0 0 0 2 1 1 0 0 0 0 15 16 1 0 0 0 0 25 26 1 0 0 0 0 9 10 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 16 17 2 0 0 0 0 29 31 1 0 0 0 0 10 2 1 0 0 0 0 25 33 1 0 0 0 0 33 31 1 0 0 0 0 17 18 1 0 0 0 0 23 29 1 0 0 0 0 27 28 2 0 0 0 0 18 19 2 0 0 0 0 31 32 2 0 0 0 0 10 11 1 0 0 0 0 29 30 1 6 0 0 0 19 20 1 0 0 0 0 33 34 1 0 0 0 0 3 4 1 0 0 0 0 7 8 1 0 0 0 0 20 22 2 0 0 0 0 4 6 1 1 0 0 0 11 13 2 0 0 0 0 4 5 1 0 0 0 0 3 38 1 0 0 0 0 7 43 1 6 0 0 0 10 47 1 1 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 22 61 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 25 65 1 1 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 33 69 1 1 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 6 42 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 M END > NP0040605 > NP-MRD > [H]O[C@@]1(C([H])=C(C([H])([H])[H])[C@]([H])(O[C@]1([H])C([H])([H])[H])C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])[C@]1(C([H])([H])[H])[C@@]2([H])OC(=O)[C@@]1(C(=O)[C@]2([H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H] > InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23+,25-,27+,28+,29-/m0/s1 > RHXSRISAJFLIHS-IJZKWTSRSA-N > C29H38O5 > 466.618 > 466.271924324 > 4 > 72 > 54.17617562980526 > 1 > 1 > 0 > 0 > (1S,4S,6R,7S)-7-[(1E,3E,5E,7E,9E)-10-[(2R,5R,6R)-5-hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]-2-methylundeca-1,3,5,7,9-pentaen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione > 5.30 > 5.264730870999999 > -5.28 > 1 > 3 > 0 > 16.730911654796067 > 13.665224030270707 > -3.3824675022254054 > 72.83000000000001 > 139.91080000000002 > 6 > 0 > 2.43e-03 g/l > (1S,4S,6R,7S)-7-[(1E,3E,5E,7E,9E)-10-[(2R,5R,6R)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]-2-methylundeca-1,3,5,7,9-pentaen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione > 0 > NP0040605 > ukulactone B $$$$