Mrv2104 01042404132D 54 61 0 0 1 0 999 V2000 -0.2433 -0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -0.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -1.9661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 -2.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 -3.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9376 -3.4080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6997 -4.1979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3775 -4.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 -5.0003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8060 -4.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 -5.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 -4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 -4.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 -3.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 -3.1539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0411 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -1.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -2.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5799 -3.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 -4.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -1.2429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8431 -1.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -0.6419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1476 -0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1097 0.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9202 -0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4589 0.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2694 0.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4043 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4035 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 2.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2421 3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 2.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 3.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7956 3.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 4.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 4.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 2.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 1.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0242 -0.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 -2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 7 14 1 6 0 0 0 10 15 1 6 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 6 21 1 6 0 0 0 6 22 1 0 0 0 0 9 22 1 0 0 0 0 22 23 2 0 0 0 0 24 4 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 2 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 2 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 30 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 34 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 42 47 1 0 0 0 0 33 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 28 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 29 53 1 0 0 0 0 24 53 1 0 0 0 0 3 54 2 0 0 0 0 M END > NP0332303 > NP-MRD > [H][C@@]1(CN2C(=C)C(=C)[C@]3(O)C4=C(O[C@]23[H])C(OC)=C(C2=C(NC3=C2C=CC=C3)C(C)(C)C=C)C(O)=C4OC)C(=O)C[C@H]2[C@@H]3CC[C@H](C(O)=O)[C@]12CC3(C)C > InChI=1S/C42H48N2O8/c1-10-39(4,5)36-29(22-13-11-12-14-27(22)43-36)30-32(46)34(51-9)31-35(33(30)50-8)52-38-42(31,49)20(2)21(3)44(38)18-26-28(45)17-25-23-15-16-24(37(47)48)41(25,26)19-40(23,6)7/h10-14,23-26,38,43,46,49H,1-3,15-19H2,4-9H3,(H,47,48)/t23-,24+,25-,26+,38-,41-,42-/m0/s1 > HCEFTORRPUSNHA-USSLATLYSA-N > C42H48N2O8 > 708.852 > 708.341066514 > 9 > 100 > 76.91563846386462 > 0 > 4 > 0 > 0 > (1S,2R,5S,6S,9S)-2-{[(2S,6S)-2,11-dihydroxy-9,12-dimethoxy-10-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,4-dimethylidene-7-oxa-5-azatricyclo[6.4.0.0^{2,6}]dodeca-1(8),9,11-trien-5-yl]methyl}-11,11-dimethyl-3-oxotricyclo[4.3.2.0^{1,5}]undecane-9-carboxylic acid > 5.095401552864982 > 1 > 8 > -1 > 9.82898585938025 > 3.738372053084488 > 4.80967847259657 > 141.55 > 196.44029999999992 > 7 > 0 > (1S,2R,5S,6S,9S)-2-{[(2S,6S)-2,11-dihydroxy-9,12-dimethoxy-10-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,4-dimethylidene-7-oxa-5-azatricyclo[6.4.0.0^{2,6}]dodeca-1(8),9,11-trien-5-yl]methyl}-11,11-dimethyl-3-oxotricyclo[4.3.2.0^{1,5}]undecane-9-carboxylic acid > 0 > NP0332303 > terreuside B $$$$