Mrv1652306202121443D 62 67 0 0 0 0 999 V2000 -1.2891 4.9019 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 4.0934 -0.3428 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8159 5.0431 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 3.6642 -1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 4.3740 -2.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 2.3738 -2.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1735 1.5426 -1.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 1.7602 -0.4426 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3559 2.1851 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 0.4827 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3947 -0.6748 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -1.8687 1.0259 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1959 -1.4547 2.5029 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0666 -0.6311 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 -2.6581 3.5141 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8639 -3.4231 3.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5963 -3.4631 4.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 -4.4105 4.8628 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9204 -3.6971 4.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -4.9451 3.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 -4.3994 2.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -4.6873 1.8634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -2.0037 4.7138 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0110 -0.9798 4.0698 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6647 -1.4512 2.8951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -0.6437 2.7189 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7066 0.6195 1.8679 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2283 0.8845 1.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 1.8512 2.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 1.8686 3.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 3.1144 1.7413 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1779 2.8175 0.4234 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1013 4.2672 0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 5.3587 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 5.7219 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 5.3134 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 5.9759 -1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 4.6244 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2499 2.1667 -3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.6694 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 2.9016 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 1.3191 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 2.6687 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -0.7989 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -2.3314 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9702 -2.6052 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 -0.2978 3.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 -1.2178 2.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 0.2677 2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -3.3822 3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4298 -2.8780 5.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 -5.2092 5.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6195 -4.3712 4.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -1.5007 5.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7022 -2.7468 5.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.2416 4.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 1.8876 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.8151 2.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 0.1609 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8889 3.5812 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3268 3.7999 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 2.3118 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 32 31 1 0 0 0 0 26 24 1 0 0 0 0 24 23 1 0 0 0 0 23 15 1 0 0 0 0 15 13 1 0 0 0 0 31 29 1 0 0 0 0 15 16 1 0 0 0 0 29 27 1 0 0 0 0 4 5 2 0 0 0 0 10 27 1 0 0 0 0 29 30 2 0 0 0 0 2 32 1 0 0 0 0 8 9 1 6 0 0 0 8 7 1 0 0 0 0 2 1 1 1 0 0 0 8 32 1 0 0 0 0 27 28 1 6 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 27 26 1 0 0 0 0 32 62 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 1 0 0 0 12 13 1 0 0 0 0 26 25 1 6 0 0 0 24 25 1 0 0 0 0 16 21 1 0 0 0 0 13 26 1 0 0 0 0 6 4 1 0 0 0 0 6 7 2 0 0 0 0 21 20 1 0 0 0 0 20 18 1 0 0 0 0 18 17 1 0 0 0 0 17 16 2 0 0 0 0 4 2 1 0 0 0 0 18 19 1 0 0 0 0 8 10 1 0 0 0 0 21 22 2 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 24 56 1 1 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 15 50 1 6 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 18 52 1 1 0 0 0 17 51 1 0 0 0 0 19 53 1 0 0 0 0 M END > NP0036608 > NP-MRD > [H]O[C@@]1([H])OC(=O)C(=C1[H])[C@]1([H])C([H])([H])[C@@]2([H])O[C@@]22[C@@]1(C([H])([H])[H])C([H])([H])C([H])=C1[C@]3(C([H])=C([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C(=O)[C@@]21C([H])([H])[H])C([H])([H])[H] > InChI=1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)8-7-17(22)27)6-9-24(4)14(11-19-26(24,25)32-19)13-10-20(29)31-21(13)30/h6-8,10,14,16,19-20,29H,9,11-12H2,1-5H3/t14-,16-,19+,20-,23+,24-,25-,26+/m0/s1 > GSUXKPGCHBNUHU-XJHRIPQRSA-N > C26H30O6 > 438.52 > 438.204238686 > 5 > 62 > 46.2764673870199 > 1 > 1 > 0 > 1 > (1R,2R,4R,6R,7S,11S,16R)-6-[(5S)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadeca-9,12-diene-14,18-dione > 3.44 > 3.551582707333332 > -4.74 > 0 > 6 > 0 > 15.552025940864219 > 11.824582387601193 > -4.162979116799922 > 93.19999999999999 > 117.67899999999995 > 1 > 1 > 8.02e-03 g/l > (1R,2R,4R,6R,7S,11S,16R)-6-[(5S)-5-hydroxy-2-oxo-5H-furan-3-yl]-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadeca-9,12-diene-14,18-dione > 0 > NP0036608 > toonaciliatavarin G $$$$