Mrv0541 02241205022D 63 69 0 0 1 0 999 V2000 12.5599 0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1444 0.4557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0313 -0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4933 0.9623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7290 0.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 1.1582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4267 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6624 1.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5492 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2004 0.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0873 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 -1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 -2.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4455 -2.2252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3324 -3.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 -3.3531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4550 -4.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6907 -4.4809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5775 -5.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 -5.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -3.9743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2752 -4.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 -3.7784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8598 -4.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -3.5824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4444 -3.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -3.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 -2.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6706 -2.2586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 -2.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 -2.4546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1992 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 -2.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 -3.1571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5015 -2.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -2.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 -1.7187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0301 -2.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9075 -0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3695 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 2.1656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2429 2.9901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5423 3.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9705 3.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 2.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 2.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2469 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1338 0.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 1.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 1.7461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9188 2.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9647 0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1910 1.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9553 2.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6064 1.7795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3707 2.0901 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 6 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 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 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 25 35 1 0 0 0 0 23 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 18 38 1 0 0 0 0 16 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 47 46 1 6 0 0 0 47 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 9 56 1 0 0 0 0 53 57 1 0 0 0 0 44 57 1 0 0 0 0 47 57 1 0 0 0 0 57 58 1 1 0 0 0 11 59 1 0 0 0 0 7 59 1 0 0 0 0 7 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 5 62 1 0 0 0 0 62 63 1 6 0 0 0 M END > T3D1043 > t3db > CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C > InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1 > CXEGAUYXQAKHKJ-NSBHKLITSA-N > C49H75NO13 > 886.1187 > 885.523841491 > 13 > 97.98335428068881 > 0 > 3 > 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)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one > 4.16 > 6.174131521999999 > -5.14 > 1 > 7 > 1 > 13.665913369826498 > 12.553786990208813 > 9.34054985091964 > 161.85999999999999 > 237.61190000000008 > 9 > 0 > 6.36e-03 g/l > emamectin B1a > 0 > T3D1043 > Emamectin B1a > 121124-29-6 > emamectin B1a; Emamectin b1a > Organic Compound; Pesticide; Amine; Ether; Ester; Avermectin; Bacterial Toxin; Lachrymator; Natural Compound $$$$