Mrv1652307042107013D 76 81 0 0 0 0 999 V2000 6.6096 -1.3440 -1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 -0.6481 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 0.3442 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 1.2265 -0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8411 2.2350 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 0.7347 0.7878 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1580 -0.7010 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 -1.2514 0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -0.6412 1.1239 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5453 0.1568 2.3912 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4768 -0.3152 3.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 -0.1656 2.9721 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7592 -0.4945 4.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 0.8949 2.7739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0679 0.8829 1.4220 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3329 1.5160 1.0783 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7466 1.5594 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 2.5850 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 2.2422 -2.4203 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 1.0337 -2.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2152 0.2816 -3.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7431 -0.9385 -2.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6174 -1.3972 -1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9671 -0.6475 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 0.5975 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 1.7569 0.8163 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 1.0665 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 1.6610 -1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 -0.2925 0.1475 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2156 -1.1820 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -2.2944 -0.8468 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -0.9702 -2.3180 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6303 -0.0967 -2.3928 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8707 -0.7908 -2.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -1.0899 -4.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0871 -1.1183 -2.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1407 -2.4760 -2.1994 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -0.4677 0.8782 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5900 -1.1886 2.1834 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9816 -1.1438 2.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 -1.8346 -0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -0.5969 -1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5705 -2.1134 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4093 0.5503 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 1.9789 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8699 1.8446 -2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 2.5517 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4346 3.1701 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 0.9637 1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 1.3534 0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -1.3007 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 -2.3807 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 -1.6276 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 1.2192 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -1.2841 3.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 0.0170 4.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 -0.1931 4.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -1.6089 4.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 2.6063 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 1.1256 1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 3.4932 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9492 2.7925 -3.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 0.6498 -4.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2651 -1.5785 -3.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -2.3687 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -0.9634 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 2.6723 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -1.9586 -2.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -0.6297 -3.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.6886 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.4404 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -0.9378 0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 -2.2165 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.1842 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 -1.6190 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -1.8409 3.7547 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 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 10 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 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 23 24 1 0 0 0 0 24 25 2 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 27 1 6 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 29 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 36 2 1 0 0 0 0 29 9 1 0 0 0 0 39 12 1 0 0 0 0 38 15 1 0 0 0 0 25 17 1 0 0 0 0 25 20 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 3 44 1 0 0 0 0 4 45 1 1 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 51 1 0 0 0 0 8 52 1 0 0 0 0 9 53 1 1 0 0 0 10 54 1 6 0 0 0 11 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 26 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 38 72 1 6 0 0 0 39 73 1 6 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 M END > NP0014277 > NP-MRD > [H]O[C@@]1([H])[C@]2([H])\C([H])=C([H])/C([H])([H])[C@@]([H])(\C([H])=C(/C(=O)C(=O)C([H])([H])C([H])([H])C(=O)[C@]22C(=O)N([H])[C@@]3(O[C@@]1(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]23[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C([H])([H])[H] > InChI=1S/C32H36N2O6/c1-17-8-7-10-22-28(38)30(4)19(3)27-31(40-30,15-20-16-33-23-11-6-5-9-21(20)23)34-29(39)32(22,27)25(36)13-12-24(35)26(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,27-28,33,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7-,18-14-/t17-,19-,22-,27-,28-,30-,31+,32+/m0/s1 > FMJFHKTWWXZEKF-MRIWVNNCSA-N > C32H36N2O6 > 544.648 > 544.257336887 > 6 > 76 > 57.318982268782555 > 1 > 3 > 0 > 0 > (1S,2S,4Z,8Z,15S,18R,19R,20S)-2-hydroxy-18-[(1H-indol-3-yl)methyl]-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0^{3,15}.0^{15,19}]henicosa-4,8-diene-10,11,14,16-tetrone > 3.44 > 4.5133198566666675 > -5.07 > 0 > 6 > 0 > 13.670661632613541 > 10.711092979617193 > -3.381693052241155 > 125.55999999999997 > 150.86630000000002 > 2 > 0 > 4.60e-03 g/l > (1S,2S,4Z,8Z,15S,18R,19R,20S)-2-hydroxy-18-(1H-indol-3-ylmethyl)-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.0^{3,15}.0^{15,19}]henicosa-4,8-diene-10,11,14,16-tetrone > 0 > NP0014277 > Armochaetoglobin J $$$$