Mrv1652307042106583D 83 88 0 0 0 0 999 V2000 -4.1420 1.6329 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 2.0193 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 3.1276 -0.9202 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 4.3882 -0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7238 1.6124 0.9326 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2165 1.5884 0.8549 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4448 0.4009 0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 -0.0931 1.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -0.4697 -0.2422 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1892 0.1060 -1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -0.2175 -2.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 1.2864 -1.6634 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8614 1.0558 -0.9267 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2866 2.2082 -0.0641 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5601 1.7966 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 1.4119 1.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 1.1243 2.1752 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 1.3019 1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0808 1.1369 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5654 1.4035 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 1.8242 -1.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 1.9842 -1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 1.7229 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -0.2107 -0.2020 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4136 -1.3081 -0.7603 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3170 -1.5531 -2.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 -2.5570 0.0596 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2053 -3.6398 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -2.2219 1.4076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 -2.7543 0.4783 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2612 -1.8879 -0.0322 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8726 -2.6743 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -2.6093 -1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0495 -1.7370 -0.6738 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7591 -2.1741 0.5512 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4138 -3.5034 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8627 -1.2357 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6622 -0.0144 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9303 0.7968 1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 0.5351 1.6857 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5221 -0.3910 2.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 2.1328 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8153 0.8370 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 5.2248 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 4.4326 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 4.4614 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 2.6307 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 2.3061 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 2.1521 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 2.1536 -2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 0.9339 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 3.0476 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 2.4915 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9202 1.3422 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4213 0.7969 3.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7388 0.8065 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6196 1.2650 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0951 2.0202 -2.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 2.3128 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8945 -0.0749 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -1.0337 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -2.5881 -2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 -0.8004 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 -1.5657 -2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -3.4045 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -3.6427 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 -4.6429 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 -3.7660 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 -1.9160 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -3.3620 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 -3.2643 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 -0.7186 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9047 -1.5128 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 -2.4487 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8254 -3.4877 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 -3.6473 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 -4.3531 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8771 -1.5321 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7149 1.8752 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2395 0.5386 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7126 0.4949 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 1.0782 2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 -0.7853 3.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 7 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 13 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 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 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 5 1 0 0 0 0 24 9 1 0 0 0 0 30 27 1 0 0 0 0 31 9 1 0 0 0 0 23 15 1 0 0 0 0 23 18 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 1 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 6 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 24 60 1 1 0 0 0 25 61 1 6 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 30 68 1 1 0 0 0 31 69 1 1 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 1 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 82 1 1 0 0 0 41 83 1 0 0 0 0 M END > NP0013759 > NP-MRD > [H]O[C@]1([H])\C(=C([H])/[C@@]([H])(C([H])([H])[H])C([H])([H])\C([H])=C([H])/[C@@]2([H])[C@]3([H])O[C@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@@]([H])(N([H])C(=O)[C@@]23C(=O)C([H])([H])[C@@]1([H])C(OC([H])([H])[H])=C([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H] > InChI=1S/C34H42N2O5/c1-18-10-9-12-25-31-33(5,41-31)20(3)29-27(15-22-17-35-26-13-8-7-11-23(22)26)36-32(39)34(25,29)28(37)16-24(21(4)40-6)30(38)19(2)14-18/h7-9,11-14,17-18,20,24-25,27,29-31,35,38H,4,10,15-16H2,1-3,5-6H3,(H,36,39)/b12-9-,19-14-/t18-,20-,24-,25-,27-,29-,30+,31-,33+,34+/m0/s1 > PSWPDXORNKHAFN-PTVXQHDTSA-N > C34H42N2O5 > 558.719 > 558.30937246 > 5 > 83 > 61.12085035906896 > 1 > 3 > 0 > 0 > (1R,4R,6Z,8S,10Z,12R,13S,15R,16S,17R,18S)-5-hydroxy-18-[(1H-indol-3-yl)methyl]-4-(1-methoxyethenyl)-6,8,15,16-tetramethyl-14-oxa-19-azatetracyclo[10.8.0.0^{1,17}.0^{13,15}]icosa-6,10-diene-2,20-dione > 4.66 > 4.0264919863333315 > -5.99 > 0 > 6 > 0 > 14.599043112684004 > 13.951832511593953 > -2.3800017403248788 > 103.95 > 160.52510000000007 > 4 > 0 > 5.74e-04 g/l > (1R,4R,6Z,8S,10Z,12R,13S,15R,16S,17R,18S)-5-hydroxy-18-(1H-indol-3-ylmethyl)-4-(1-methoxyethenyl)-6,8,15,16-tetramethyl-14-oxa-19-azatetracyclo[10.8.0.0^{1,17}.0^{13,15}]icosa-6,10-diene-2,20-dione > 0 > NP0013759 > Armochaeglobine B $$$$