Mrv1652306242119543D 62 64 0 0 0 0 999 V2000 6.4383 2.0063 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 0.9397 -1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9077 -0.2534 -2.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6468 1.2476 -0.9045 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 0.2670 -0.2189 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4333 0.4893 -0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 1.3847 -1.4931 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 -0.3078 -0.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 -0.1692 -0.5565 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8165 0.2396 0.6119 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2339 -0.1799 0.4590 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2190 0.6905 1.1637 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9475 0.5313 2.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 2.1375 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6301 0.1987 0.9838 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9624 -0.0839 -0.4613 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0154 -1.1515 -0.9241 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1108 -2.2126 -0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6248 -0.5664 -0.9440 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4957 0.4785 -1.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -1.6965 -1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -1.4133 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -2.5023 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 -2.6422 -1.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 -3.4198 -2.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 -3.0699 -1.8093 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8978 0.3842 1.2650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0181 -0.6780 1.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 0.2224 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8052 2.8911 -2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 1.6623 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2488 2.4085 -1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 2.2484 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -0.7710 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 0.6892 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -0.2310 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 1.3236 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -1.1791 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -0.5274 2.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 0.8958 2.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6906 1.1578 3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 2.7753 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 2.5492 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9804 2.4210 0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 -0.7207 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 0.9996 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -0.4220 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9036 0.8509 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2689 -1.4990 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9358 -2.7189 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1971 1.4701 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 0.1935 -2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 0.6043 -2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -3.0841 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 -3.7454 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 1.3630 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 -0.2961 2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -1.5018 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 -1.0833 2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4464 -0.8407 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 0.4345 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 0.8115 2.7654 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 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 22 9 1 0 0 0 0 19 11 1 0 0 0 0 26 21 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 1 0 0 0 9 35 1 6 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 1 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 6 0 0 0 18 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 6 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > NP0014257 > NP-MRD > [H]O[C@@]1([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C3=C(C([H])([H])OC3=O)[C@@]12C([H])([H])[H] > InChI=1S/C22H33NO6/c1-11(2)18(23-12(3)24)20(27)29-14-9-15-21(4,5)8-7-16(25)22(15,6)13-10-28-19(26)17(13)14/h11,14-16,18,25H,7-10H2,1-6H3,(H,23,24)/t14-,15+,16+,18+,22-/m1/s1 > HBMYEJCMSBLMPA-GZOXUXNESA-N > C22H33NO6 > 407.507 > 407.230787787 > 4 > 62 > 44.21871114254522 > 1 > 2 > 0 > 1 > (4R,5aS,9S,9aS)-9-hydroxy-6,6,9a-trimethyl-3-oxo-1H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH-naphtho[1,2-c]furan-4-yl (2S)-2-acetamido-3-methylbutanoate > 2.11 > 1.8179812336666663 > -3.72 > 0 > 3 > 0 > 12.924809572731732 > 12.305634327033552 > -1.6341826631744696 > 101.93000000000002 > 105.75759999999998 > 5 > 1 > 7.72e-02 g/l > (4R,5aS,9S,9aS)-9-hydroxy-6,6,9a-trimethyl-3-oxo-1H,4H,5H,5aH,7H,8H,9H-naphtho[1,2-c]furan-4-yl (2S)-2-acetamido-3-methylbutanoate > 0 > NP0014257 > Minioluteumide E $$$$