ISISHOST04090423302D 1 1.00000 0.00000 13844 54 59 0 1 0 999 V2000 40.6708 -29.2000 0.0000 C 0 0 2 0 0 0 0 0 0 41.1250 -29.4625 0.0000 O 0 0 0 0 0 0 0 0 0 41.5794 -29.2004 0.0000 C 0 0 1 0 0 0 0 0 0 41.5797 -28.6759 0.0000 C 0 0 2 0 0 0 0 0 0 41.1255 -28.4134 0.0000 C 0 0 0 0 0 0 0 0 0 40.6711 -28.6754 0.0000 C 0 0 0 0 0 0 0 0 0 39.2995 -28.9375 0.0000 C 0 0 0 0 0 0 0 0 0 38.8417 -29.2000 0.0000 C 0 0 0 0 0 0 0 0 0 38.3834 -28.9354 0.0000 C 0 0 0 0 0 0 0 0 0 37.9251 -29.2000 0.0000 C 0 0 2 0 0 0 0 0 0 37.9251 -29.7292 0.0000 C 0 0 2 0 0 0 0 0 0 39.7574 -29.2000 0.0000 C 0 0 1 0 0 0 0 0 0 40.6716 -29.7331 0.0000 C 0 0 0 0 0 0 0 0 0 40.2168 -28.9374 0.0000 O 0 0 0 0 0 0 0 0 0 40.2122 -29.9957 0.0000 C 0 0 2 0 0 0 0 0 0 39.7580 -29.7301 0.0000 C 0 0 0 0 0 0 0 0 0 40.2093 -30.5219 0.0000 O 0 0 0 0 0 0 0 0 0 38.3846 -29.9930 0.0000 C 0 0 0 0 0 0 0 0 0 38.3846 -30.5207 0.0000 C 0 0 0 0 0 0 0 0 0 38.8409 -30.7816 0.0000 C 0 0 0 0 0 0 0 0 0 38.8380 -31.3085 0.0000 C 0 0 0 0 0 0 0 0 0 39.7534 -30.7867 0.0000 C 0 0 0 0 0 0 0 0 0 39.7505 -31.3135 0.0000 C 0 0 1 0 0 0 0 0 0 39.2946 -31.5725 0.0000 C 0 0 1 0 0 0 0 0 0 39.2909 -32.0968 0.0000 C 0 0 1 0 0 0 0 0 0 39.7431 -32.3622 0.0000 C 0 0 1 0 0 0 0 0 0 40.1991 -32.1032 0.0000 C 0 0 0 0 0 0 0 0 0 40.2027 -31.5788 0.0000 C 0 0 0 0 0 0 0 0 0 38.3834 -28.4062 0.0000 C 0 0 0 0 0 0 0 0 0 37.4668 -28.9354 0.0000 O 0 0 0 0 0 0 0 0 0 37.4672 -29.9943 0.0000 C 0 0 0 0 0 0 0 0 0 38.3789 -31.5716 0.0000 C 0 0 0 0 0 0 0 0 0 39.2875 -31.0417 0.0000 O 0 0 0 0 0 0 0 0 0 39.7394 -32.8913 0.0000 O 0 0 0 0 0 0 0 0 0 40.6555 -32.3710 0.0000 C 0 0 0 0 0 0 0 0 0 39.2955 -30.5214 0.0000 O 0 0 0 0 0 0 0 0 0 42.0381 -28.4115 0.0000 C 0 0 0 0 0 0 0 0 0 42.0376 -29.4652 0.0000 C 0 0 3 0 0 0 0 0 0 42.0373 -29.9944 0.0000 C 0 0 0 0 0 0 0 0 0 42.4960 -29.2009 0.0000 C 0 0 0 0 0 0 0 0 0 42.9541 -29.4657 0.0000 C 0 0 0 0 0 0 0 0 0 38.3708 -32.1000 0.0000 O 0 0 0 0 0 0 0 0 0 40.1958 -33.1591 0.0000 C 0 0 0 0 0 0 0 0 0 36.0926 -29.2000 0.0000 C 0 0 1 0 0 0 0 0 0 36.0926 -29.7292 0.0000 C 0 0 1 0 0 0 0 0 0 36.5505 -29.9958 0.0000 C 0 0 2 0 0 0 0 0 0 37.0083 -29.7292 0.0000 C 0 0 0 0 0 0 0 0 0 37.0083 -29.2000 0.0000 C 0 0 1 0 0 0 0 0 0 36.5505 -28.9375 0.0000 O 0 0 0 0 0 0 0 0 0 35.6348 -28.9347 0.0000 C 0 0 0 0 0 0 0 0 0 36.5505 -30.5250 0.0000 O 0 0 0 0 0 0 0 0 0 35.6339 -29.9929 0.0000 O 0 0 0 0 0 0 0 0 0 37.0088 -30.7896 0.0000 C 0 0 0 0 0 0 0 0 0 39.2833 -32.6250 0.0000 H 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 23 1 0 0 0 15 13 1 0 0 0 9 29 1 0 0 0 13 1 1 0 0 0 10 30 1 6 0 0 1 14 1 0 0 0 11 31 1 6 0 0 14 12 1 0 0 0 21 32 1 0 0 0 12 7 1 1 0 0 24 33 1 6 0 0 7 8 1 0 0 0 26 34 1 1 0 0 1 2 1 6 0 0 27 35 1 0 0 0 15 16 1 0 0 0 22 36 2 0 0 0 22 17 1 0 0 0 4 37 1 6 0 0 15 17 1 1 0 0 3 38 1 1 0 0 2 3 1 0 0 0 38 39 1 0 0 0 3 4 1 0 0 0 38 40 1 0 0 0 18 19 2 0 0 0 40 41 1 0 0 0 19 20 1 0 0 0 32 42 1 0 0 0 25 42 1 0 0 0 4 5 1 0 0 0 34 43 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 20 21 2 0 0 0 21 24 1 0 0 0 23 22 1 6 0 0 10 11 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 44 1 0 0 0 11 18 1 0 0 0 44 50 1 6 0 0 5 6 2 0 0 0 46 51 1 6 0 0 1 6 1 1 0 0 45 52 1 1 0 0 51 53 1 0 0 0 48 30 1 1 0 0 12 16 1 0 0 0 25 54 1 6 0 0 M END > CHEBI:29524 > Avermectin A1a monosaccharide > 2 > Avermectin A1a monosaccharide > C42H62O11 > 742.937 > 742.42921 > 0 > CCC(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](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C > InChI=1S/C42H62O11/c1-10-23(2)37-26(5)16-17-41(53-37)21-31-19-30(52-41)15-14-25(4)36(51-34-20-33(46-8)35(43)28(7)49-34)24(3)12-11-13-29-22-48-39-38(47-9)27(6)18-32(40(44)50-31)42(29,39)45/h11-14,16-18,23-24,26,28,30-39,43,45H,10,15,19-22H2,1-9H3/b12-11+,25-14+,29-13+/t23?,24-,26-,28-,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,41+,42+/m0/s1 > UFXJUDTUTIFNOY-DXLDPMLMSA-N > C11982 $$$$