Mrv1652309082222092D 62 68 0 0 1 0 999 V2000 -2.8099 10.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6914 9.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 9.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8065 8.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 8.0363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9217 7.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1553 6.9143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4924 7.4252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3739 8.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 7.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3773 6.3032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1436 5.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 5.1812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0285 4.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 5.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 4.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 2.9372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3841 2.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 1.6098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 1.8152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5645 2.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3309 2.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4494 1.2040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2157 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8016 0.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9201 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6865 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 2.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 2.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 0.8937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4733 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 0.0129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6522 -0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 -0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 0.8373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6215 1.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 2.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 2.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 3.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 3.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6144 4.6703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8481 4.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6744 1.1992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7244 0.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 5.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 6.0979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6846 5.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4509 5.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 8.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 9.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1368 9.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 9.6692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3958 10.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 7 6 1 1 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 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 22 31 1 6 0 0 0 22 32 1 0 0 0 0 18 32 1 0 0 0 0 20 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 1 6 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 1 0 0 0 41 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 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 49 50 1 0 0 0 0 13 50 1 0 0 0 0 50 51 1 6 0 0 0 46 52 1 0 0 0 0 36 52 1 0 0 0 0 43 52 1 0 0 0 0 52 53 1 6 0 0 0 11 54 1 0 0 0 0 54 55 1 0 0 0 0 7 55 1 0 0 0 0 55 56 1 6 0 0 0 56 57 1 0 0 0 0 5 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 6 0 0 0 59 61 1 0 0 0 0 3 61 1 0 0 0 0 61 62 1 1 0 0 0 M END > NP0273202 > NP-MRD > CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)O[C@@H](C)[C@@H]1O > InChI=1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1 > MNRHCELBXZARFX-OVBDMLLUSA-N > C48H72O14 > 873.09 > 872.492206998 > 13 > 134 > 95.23476770610876 > 0 > 2 > 0 > 0 > (1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-21'-methoxy-5,11',13',22'-tetramethyl-6-(propan-2-yl)-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one > 6.046990763666667 > 1 > 7 > 0 > 13.31016059073654 > 12.508513908799916 > -3.443775544412641 > 159.06 > 231.33000000000007 > 8 > 0 > (1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-isopropyl-21'-methoxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one > 0 > NP0273202 > avermectin a1b $$$$