Mrv1652307042107073D 85 88 0 0 0 0 999 V2000 -8.7006 1.6654 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 1.3676 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7092 1.3646 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 1.0670 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 0.7901 0.2326 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0659 1.7098 0.2721 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0805 1.3251 1.3549 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3812 0.0944 0.9422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8956 -0.5733 2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 0.2280 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.8944 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -2.1689 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -3.2052 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -2.2174 0.1590 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3417 -0.7876 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7814 -0.6348 0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2109 -1.1362 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -1.5181 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -0.6971 -1.4898 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1746 0.1970 -2.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.8307 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -2.8377 -2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -1.5633 -1.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4921 -0.0894 -1.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6630 0.7242 -1.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4150 0.5157 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 0.7008 -0.7041 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3742 -0.5516 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -1.4501 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.8843 0.6729 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5460 0.2277 1.6112 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4262 -0.4126 2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 1.2293 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.9502 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 2.3822 1.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0458 -0.7377 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7491 -0.7485 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 1.4391 -0.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6788 1.7931 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 1.4396 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.5155 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0639 0.7896 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5537 2.0250 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.5334 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 0.8580 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 1.5543 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 2.7710 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 2.1457 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 1.0217 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.2763 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.6446 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.1296 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.7514 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -2.7839 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -0.4575 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.9152 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -1.6280 2.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 -0.3092 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.5807 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -1.2445 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -1.3256 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.1973 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.2026 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 1.2430 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -2.1520 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -1.9010 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.2688 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.8151 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 1.1401 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 0.9011 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.5420 -3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 1.4690 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.0802 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 -1.6867 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -1.3453 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 0.7129 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -1.0633 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.9634 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 0.3970 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 2.6841 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.6366 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.7963 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.2946 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 2.2034 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 2.2486 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 1 0 0 0 16 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 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 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 24 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 16 5 1 0 0 0 0 36 19 1 0 0 0 0 15 8 1 0 0 0 0 40 10 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 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 7 48 1 0 0 0 0 7 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 6 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 6 0 0 0 25 68 1 6 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 1 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 35 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 84 1 6 0 0 0 39 85 1 0 0 0 0 M END > NP0014491 > NP-MRD > [H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C(=O)[C@]2(C3=C(C(=O)[C@@]([H])(O[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H] > InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-22(36)32(8)24-20(35)14-21-29(4,5)23(41-17(3)33)9-10-30(21,6)25(24)26(37)27(38)31(19,32)7/h15-16,19,21,23,27,38H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21+,23+,27-,30+,31+,32+/m1/s1 > UCVMOQJIKVEFTE-ILOYXCQESA-N > C32H44O9 > 572.695 > 572.298532997 > 8 > 85 > 61.48279316393025 > 1 > 2 > 0 > 0 > (2R,6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid > 3.40 > 3.592876559666665 > -4.95 > 1 > 4 > -1 > 12.899405408098819 > 4.161463219560417 > -3.7175940074403764 > 152.11 > 148.5967 > 8 > 0 > 6.36e-03 g/l > (2R,6R)-6-[(2S,5S,7R,11R,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid > 0 > NP0014491 > Ganodernoid G $$$$