Mrv2104 01042404062D 51 59 0 0 1 0 999 V2000 -6.7367 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9119 1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5149 0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9428 -0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5459 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2313 2.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 3.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 2.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5292 3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 4.0824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8534 3.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6994 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3243 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1032 2.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2572 3.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6323 3.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 0.2956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6300 0.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 -0.3293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 -0.9386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7348 -0.9564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4969 -1.7464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1746 -2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 -2.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6031 -2.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -3.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -2.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0255 -1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 -1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 -1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0501 -0.7023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1617 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 0.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 -1.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 -1.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 -2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -1.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 -0.0235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9123 -0.3427 0.0000 O 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 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 2 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 12 16 1 0 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 2 0 0 0 0 15 20 1 0 0 0 0 7 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 1 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 6 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 31 34 1 0 0 0 0 27 34 1 6 0 0 0 30 35 1 6 0 0 0 35 36 1 0 0 0 0 37 36 1 0 0 0 0 27 37 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 26 41 1 6 0 0 0 26 42 1 0 0 0 0 29 42 1 0 0 0 0 42 43 2 0 0 0 0 24 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 47 48 1 0 0 0 0 48 49 2 0 0 0 0 44 49 1 0 0 0 0 50 49 1 0 0 0 0 22 50 1 0 0 0 0 50 6 1 0 0 0 0 50 51 1 1 0 0 0 M END > NP0332301 > NP-MRD > [H][C@@]1(CN2C3=CC=CC=C3[C@]3(O)C4=C(O[C@]23[H])C(OC)=C(C2=CNC3=C2C=CC=C3)C(O)=C4OC)C(=O)C[C@H]2[C@@H]3CC[C@H](C(O)=O)[C@]12CC3(C)C > InChI=1S/C39H40N2O8/c1-37(2)18-38-23(35(44)45)14-13-21(37)24(38)15-28(42)25(38)17-41-27-12-8-6-10-22(27)39(46)30-33(48-4)31(43)29(32(47-3)34(30)49-36(39)41)20-16-40-26-11-7-5-9-19(20)26/h5-12,16,21,23-25,36,40,43,46H,13-15,17-18H2,1-4H3,(H,44,45)/t21-,23+,24-,25+,36-,38-,39-/m0/s1 > MDLXGXWNGADDEZ-RJNKUXNJSA-N > C39H40N2O8 > 664.755 > 664.278466256 > 9 > 89 > 70.9773458287534 > 0 > 4 > 0 > 0 > (1S,2R,5S,6S,9S)-2-{[(1S,9S)-1,4-dihydroxy-5-(1H-indol-3-yl)-3,6-dimethoxy-8-oxa-10-azatetracyclo[7.7.0.0^{2,7}.0^{11,16}]hexadeca-2(7),3,5,11,13,15-hexaen-10-yl]methyl}-11,11-dimethyl-3-oxotricyclo[4.3.2.0^{1,5}]undecane-9-carboxylic acid > 5.592484076333333 > 0 > 9 > -1 > 9.864056813196173 > 3.9298565578500875 > -4.2915697671768624 > 141.54999999999998 > 180.7851 > 5 > 0 > (1S,2R,5S,6S,9S)-2-{[(1S,9S)-1,4-dihydroxy-5-(1H-indol-3-yl)-3,6-dimethoxy-8-oxa-10-azatetracyclo[7.7.0.0^{2,7}.0^{11,16}]hexadeca-2(7),3,5,11,13,15-hexaen-10-yl]methyl}-11,11-dimethyl-3-oxotricyclo[4.3.2.0^{1,5}]undecane-9-carboxylic acid > 0 > NP0332301 > terreuside A $$$$