Mrv1652307042107133D 87 90 0 0 0 0 999 V2000 9.5171 0.3805 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 -0.4887 0.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7166 -0.6314 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 0.0180 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5359 -1.5176 -0.5486 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8398 -2.9594 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4873 -1.0579 0.4747 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3713 -1.8469 0.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 0.3869 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 1.0994 0.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 1.0965 0.2968 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7805 0.3540 0.6278 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8107 -0.1400 2.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 1.2594 0.2708 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7293 1.5359 -1.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3580 1.0632 -1.7622 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1569 1.8484 -2.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 1.3903 -0.6191 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6080 2.9154 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 0.8107 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4762 0.7666 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 1.5056 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 2.0879 2.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3401 1.5685 1.7552 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2684 0.8364 0.5763 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0512 -0.6315 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7206 0.0321 0.8524 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3842 -1.2938 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6014 0.7651 1.8362 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9736 0.1384 1.8883 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6526 -0.0086 0.5771 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8110 -0.7629 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7778 -0.8158 -0.3630 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7704 -2.2755 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4194 -0.6595 -1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4476 -0.1610 -0.4437 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5408 -0.7879 -1.4764 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5445 0.3167 -1.8475 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7179 -0.2312 -2.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 0.1958 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1847 0.1860 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1655 1.4468 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0952 -1.4045 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -3.1807 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 -3.2617 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -3.5925 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -1.2704 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3932 -2.3481 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9402 1.6606 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 1.9828 1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 -0.5102 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 0.4865 2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 -0.1415 2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 -1.1700 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 2.2423 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4642 0.9001 -1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 2.5810 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 -0.0228 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 1.3115 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 3.2412 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 3.2772 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 3.3565 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0545 2.6349 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 1.2322 2.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 -0.9822 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -1.1383 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -1.0435 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 -2.1055 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -1.5475 2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 -1.0950 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7005 1.8307 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 0.5393 2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 -0.8193 2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6052 0.8386 2.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9206 0.9378 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5721 -0.4281 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7074 -2.7167 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9449 -2.7362 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8017 -2.5489 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1056 0.2910 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1471 -1.5532 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5238 -0.6400 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6502 0.8877 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -1.6783 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 -1.0412 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1946 1.1338 -2.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -0.1237 -3.6813 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 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 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 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 21 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 25 14 1 0 0 0 0 36 27 1 0 0 0 0 25 18 1 0 0 0 0 38 20 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 5 43 1 6 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 1 0 0 0 8 48 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 51 1 6 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 1 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 58 1 6 0 0 0 17 59 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 6 0 0 0 32 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 83 1 6 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 86 1 6 0 0 0 39 87 1 0 0 0 0 M END > NP0016136 > NP-MRD > [H]O[C@]([H])(C(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@]([H])(O[H])[C@]2(C3=C(C(=O)C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])[C@]3([H])O[H])C([H])([H])[H])[C@@]([H])(C(=O)OC([H])([H])[H])C([H])([H])[H] > InChI=1S/C31H48O8/c1-15(11-19(33)26(37)16(2)27(38)39-8)17-12-23(36)31(7)25-18(32)13-21-28(3,4)22(35)9-10-29(21,5)24(25)20(34)14-30(17,31)6/h15-18,21-23,26,32,35-37H,9-14H2,1-8H3/t15-,16+,17-,18+,21+,22+,23+,26+,29+,30-,31+/m1/s1 > CUFBLDXHAWKOJF-SGWXKGRTSA-N > C31H48O8 > 548.717 > 548.334918506 > 7 > 87 > 61.25410312731414 > 1 > 4 > 0 > 0 > methyl (2S,3S,6R)-3-hydroxy-2-methyl-4-oxo-6-[(2S,5S,7R,9S,11R,12S,14R,15R)-5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]heptanoate > 2.50 > 2.1705897939999996 > -4.14 > 1 > 4 > 0 > 14.281197719085256 > 12.897984416271175 > -0.8070041042939199 > 141.36 > 145.8589 > 7 > 0 > 4.02e-02 g/l > methyl (2S,3S,6R)-3-hydroxy-2-methyl-4-oxo-6-[(2S,5S,7R,9S,11R,12S,14R,15R)-5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]heptanoate > 0 > NP0016136 > Ganoderic acid XL5 $$$$