Mrv1652309122212482D 50 56 0 0 1 0 999 V2000 -0.4049 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -0.0965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 -0.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 -1.5822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0941 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4955 -2.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 -2.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 -2.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 -3.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 -4.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 -4.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4738 -5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 -4.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5289 -3.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 -2.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 -3.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2328 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 -1.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0237 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2879 -0.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9032 -0.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1123 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 -1.9996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6028 -2.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 -3.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0555 -1.1386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7448 -0.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3214 0.0376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3934 0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 -0.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5338 0.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -1.2058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2286 -0.1963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5783 0.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -0.5791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5439 -0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -1.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5644 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -1.5663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3108 -1.0284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9548 -1.7699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7185 -2.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 -2.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 2 0 0 0 0 10 15 1 0 0 0 0 16 15 1 4 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 1 0 0 0 31 3 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 6 0 0 0 35 36 1 0 0 0 0 37 34 1 1 0 0 0 5 37 1 0 0 0 0 30 37 1 0 0 0 0 32 38 1 0 0 0 0 38 39 1 6 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 6 0 0 0 42 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 30 46 1 0 0 0 0 47 46 1 1 0 0 0 38 47 1 0 0 0 0 47 48 1 0 0 0 0 44 48 1 0 0 0 0 48 49 1 6 0 0 0 49 50 1 0 0 0 0 M END > NP0327852 > NP-MRD > CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(O)C[C@@H](C)C(O)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14 > InChI=1S/C37H52N2O11/c1-7-39-17-34(18-50-32(43)20-10-8-9-11-23(20)38-26(40)14-19(2)31(41)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H,38,40)(H,41,42)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1 > GKBQSASKFHKAHI-CRNWGPEESA-N > C37H52N2O11 > 700.826 > 700.357110502 > 12 > 102 > 75.01049204349837 > 0 > 4 > 0 > 0 > (2R)-3-{[2-({[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methoxy}carbonyl)phenyl]-C-hydroxycarbonimidoyl}-2-methylpropanoic acid > -1.4195007025250548 > 1 > 7 > 0 > 5.112027832717612 > 3.2148327036496624 > 9.679585287007159 > 176.80999999999995 > 181.22289999999995 > 13 > 0 > (2R)-3-{[2-({[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methoxy}carbonyl)phenyl]-C-hydroxycarbonimidoyl}-2-methylpropanoic acid > 0 > NP0327852 > (2r)-3-{[2-({[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methoxy}carbonyl)phenyl]-c-hydroxycarbonimidoyl}-2-methylpropanoic acid $$$$