Mrv1652307042106583D 89 90 0 0 0 0 999 V2000 8.6838 2.3853 2.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 1.2047 1.6252 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5841 1.5968 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 2.7377 -0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 0.5997 -0.6311 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7605 -0.5688 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4819 0.4403 -0.3479 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8212 1.6499 -0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -0.7796 -0.8255 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2688 -2.0086 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3494 -0.5740 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 -1.2873 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 -2.6465 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 -0.7148 -1.1308 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1091 -0.6431 0.1384 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9075 0.2745 1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 -0.0120 -0.0737 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0712 1.2712 -0.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 2.4966 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 3.3557 0.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 3.0278 -0.3221 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9387 2.1944 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 1.8666 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 2.5600 -1.5587 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8478 1.5352 -2.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 0.7353 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5019 -0.0921 -0.1061 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0212 0.7552 1.6556 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0007 1.3942 2.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -0.6202 2.1464 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1758 -1.7368 1.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5531 -2.2134 1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -2.3435 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -2.5554 0.5647 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2894 -2.2307 -0.7153 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9585 -2.8881 -1.7456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 -0.7706 -1.0012 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8177 -0.4598 -2.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 1.5933 1.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 3.2033 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9949 2.7985 3.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6257 2.1303 2.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8487 0.4112 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2546 0.7292 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 1.1984 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 -1.3700 -1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6134 -0.2668 -1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3075 -1.0226 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 0.3628 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 1.9128 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -0.9287 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2145 -1.7495 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 -2.8533 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 -2.2844 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 0.4454 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 -3.1564 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 -3.2386 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 -2.6526 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 0.2850 -1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -1.3370 -1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.6079 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 -0.1839 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4081 0.2918 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0587 1.2540 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7495 0.0779 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 4.0273 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 3.2872 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0681 3.3887 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 2.9753 -1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3826 2.0378 -3.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8241 1.2442 -2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 0.6643 -2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9883 0.8738 3.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8155 2.4694 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0208 1.2761 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5441 -0.6117 2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 -0.7001 3.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1852 -1.4297 2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5523 -3.0558 2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1058 -2.5809 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 -2.7207 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 -2.1665 1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -3.6824 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -2.6647 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 -2.2226 -2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 -0.3440 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 -1.3645 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 0.3532 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -0.0315 -2.9100 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 28 39 1 0 0 0 0 37 17 1 0 0 0 0 39 22 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 5 45 1 6 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 1 0 0 0 8 50 1 0 0 0 0 9 51 1 6 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 61 1 1 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 65 1 1 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 1 0 0 0 36 85 1 0 0 0 0 37 86 1 1 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 M END > NP0013779 > NP-MRD > [H]O[C@@]([H])([C@]([H])(C(\[H])=C(/C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)C([H])([H])C2=C(C(=O)[C@@](O2)(C([H])([H])[H])C([H])([H])\C(=C([H])/C([H])([H])[C@@]([H])(O[H])[C@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C32H50O7/c1-10-24-27-16-28(35)38-30(21(6)15-19(4)14-20(5)29(36)22(7)25(33)11-2)23(8)26(34)13-12-18(3)17-32(9,39-27)31(24)37/h12,14,20-23,26,29-30,34,36H,10-11,13,15-17H2,1-9H3/b18-12-,19-14+/t20-,21+,22+,23-,26+,29-,30+,32+/m0/s1 > VGSMDJWAWJALKD-AJPQYHSNSA-N > C32H50O7 > 546.745 > 546.35565395 > 6 > 89 > 62.15800571436901 > 0 > 2 > 0 > 0 > (5R,6S,7R,9Z,12R)-14-ethyl-7-hydroxy-5-[(2R,4E,6S,7S)-7-hydroxy-4,6,8-trimethyl-9-oxoundec-4-en-2-yl]-6,10,12-trimethyl-4,15-dioxabicyclo[10.2.1]pentadeca-1(14),9-diene-3,13-dione > 4.34 > 5.472891868333333 > -5.24 > 0 > 2 > 0 > 14.980674424916415 > 14.314114971116265 > -2.878813709340097 > 110.13000000000001 > 155.2625 > 9 > 0 > 3.18e-03 g/l > (5R,6S,7R,9Z,12R)-14-ethyl-7-hydroxy-5-[(2R,4E,6S,7S)-7-hydroxy-4,6,8-trimethyl-9-oxoundec-4-en-2-yl]-6,10,12-trimethyl-4,15-dioxabicyclo[10.2.1]pentadeca-1(14),9-diene-3,13-dione > 0 > NP0013779 > Actinoallolide E $$$$