24867522 -OEChem-05062413012D 77 85 0 1 0 0 0 0 0999 V2000 0.8652 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 10.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 3.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 12.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 1.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9936 3.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 10.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9936 12.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 6.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 1.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 10.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 2.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5040 1.7818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1148 1.8366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2858 11.6103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5040 10.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8448 0.8479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1148 11.0511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5614 3.3571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8448 10.0624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8383 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 2.7023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5614 12.5716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8383 10.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 3.6682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8580 4.6508 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3358 11.9168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5947 12.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9994 2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 13.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0101 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 11.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 10.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 2.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 11.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 14.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2241 6.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 5.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 15.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 14.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 9.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 4.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 0.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 0.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 3.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 13.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 9.4778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 9.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 4.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 4.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 12.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 13.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 14.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 1.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 1.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 10.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 10.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 10.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 0.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 9.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5341 5.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 6.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 6.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 5.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 4.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 4.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 6.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 15.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 16.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 15.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 15.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 14.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 19 1 0 0 0 0 18 2 1 1 0 0 0 2 22 1 0 0 0 0 3 21 1 0 0 0 0 3 31 1 0 0 0 0 4 25 1 0 0 0 0 4 34 1 0 0 0 0 16 5 1 1 0 0 0 5 64 1 0 0 0 0 6 27 1 0 0 0 0 6 36 1 0 0 0 0 20 7 1 1 0 0 0 7 65 1 0 0 0 0 8 30 1 0 0 0 0 8 38 1 0 0 0 0 9 31 2 0 0 0 0 10 34 2 0 0 0 0 11 37 1 0 0 0 0 11 72 1 0 0 0 0 12 36 2 0 0 0 0 13 38 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 14 33 1 1 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 35 1 1 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 6 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 21 27 1 0 0 0 0 21 46 1 1 0 0 0 22 26 1 0 0 0 0 22 45 1 6 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 36 1 0 0 0 0 24 49 1 0 0 0 0 25 30 1 0 0 0 0 25 50 1 1 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 37 1 0 0 0 0 28 54 1 0 0 0 0 29 32 1 0 0 0 0 29 38 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 32 39 1 6 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 39 42 1 0 0 0 0 39 43 2 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 M END > 24867522 > 1 > 1290 > 13 > 3 > 2 > AAADcfB4PAAAAAAAAAAAAAAAEiQAAaNEiRA0aIEABIkSJGgAAAAAGgAACAAAD1SggAICCAAABgCIAgDSCAIAAAAgAAAAAAFAAAgBABYAAQQCQAAF4AACAAHK7PzPgAAAAAAAAADCAAYQADCAAYQADAAAAA== > (1R,3R,5S,8S,13R)-1-hydroxy-14-(1-hydroxy-1-methyl-ethyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,13R,14R)-1-hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione > (1R,3R,5S,8S,13R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-(1-methylethenyl)-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione > (1R,3R,5S,8S,13R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione > (1R,3R,5S,8S,13R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione > (1R,3R,5S,8S,13R)-13-methyl-1-oxidanyl-14-(2-oxidanylpropan-2-yl)-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,13R,14R)-13-methyl-1-oxidanyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione > (1R,3R,5S,8S,13R)-1-hydroxy-14-(1-hydroxy-1-methyl-ethyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-quinone;(1R,3R,5S,8S,13R,14R)-1-hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-quinone > InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6?,7?,8?,9-,13-,14-,15+;6-,7+,8?,9?,10-,13-,14-,15+/m11/s1 > VJKUPQSHOVKBCO-SHBYWDFQSA-N > 602.19994113 > C30H34O13 > 602.6 > CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O > CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4C(C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O > 191 > 602.19994113 > 0 > 43 > 11 > 5 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 15 1 5 14 33 5 17 35 5 19 44 6 18 2 5 21 46 5 22 45 6 24 36 3 25 50 5 28 37 3 29 38 3 32 39 6 16 5 5 27 6 3 20 7 5 30 8 3 $$$$