Mrv1572004221606302D 87 93 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 11.0313 -0.3615 0.0000 C 0 0 0 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 7.8610 -2.4212 0.0000 C 0 0 0 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 4.9976 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6919 -2.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1633 -3.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8716 -2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5322 -5.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0596 -6.1966 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 5.2564 -0.3949 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 5.3695 0.4223 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 8.0873 -0.7868 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 9.1910 1.9754 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 7.5492 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3524 -5.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8704 -4.3662 0.0000 C 0 0 0 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 3.8955 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1444 0.4557 0.0000 C 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 7.2098 -1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6064 1.7795 0.0000 C 0 0 1 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 10.5787 -3.6303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3990 -3.7450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1073 -3.0091 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 8.2004 0.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6624 1.3542 0.0000 C 0 0 1 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 11.1167 -4.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5216 -4.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7013 -4.7582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9835 -3.5490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2299 -4.1369 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 6.4455 -2.2252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4933 0.9623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2858 -4.5622 0.0000 C 0 0 1 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 6.2469 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 1.1582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8315 1.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9942 -3.8263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4561 -2.5025 0.0000 O 0 0 0 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 6.1338 0.7330 0.0000 O 0 0 0 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 11.7679 -5.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -5.6900 0.0000 O 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 9.8144 -3.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7478 -3.2384 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 6.3324 -3.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -5.0688 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 9.7290 0.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 -0.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 -0.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 1.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7956 -0.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 -1.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3430 -3.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 -4.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8515 -0.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3516 2.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8810 -4.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1727 -5.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4656 -4.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -2.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0471 -4.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 3.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 -2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3801 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6347 -4.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 2.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 19 18 2 0 0 0 0 26 2 1 0 0 0 0 26 12 1 0 0 0 0 27 3 1 1 0 0 0 27 14 1 0 0 0 0 28 4 1 0 0 0 0 28 16 2 0 0 0 0 29 5 1 6 0 0 0 29 18 1 0 0 0 0 30 6 1 0 0 0 0 30 20 2 0 0 0 0 31 7 1 1 0 0 0 32 8 1 1 0 0 0 33 9 1 4 0 0 0 34 15 2 0 0 0 0 34 25 1 0 0 0 0 35 17 1 0 0 0 0 35 21 1 0 0 0 0 36 21 1 0 0 0 0 36 24 1 0 0 0 0 37 20 1 0 0 0 0 38 22 1 0 0 0 0 39 23 1 0 0 0 0 40 22 1 0 0 0 0 41 23 1 0 0 0 0 42 31 1 0 0 0 0 42 38 1 0 0 0 0 43 30 1 0 0 0 0 44 27 1 0 0 0 0 44 28 1 0 0 0 0 45 26 1 1 0 0 0 45 29 1 0 0 0 0 46 32 1 0 0 0 0 46 39 1 0 0 0 0 47 43 1 0 0 0 0 48 37 1 0 0 0 0 49 19 1 0 0 0 0 49 24 1 0 0 0 0 50 34 1 0 0 0 0 50 37 1 0 0 0 0 50 47 1 0 0 0 0 51 33 2 0 0 0 0 42 51 1 1 0 0 0 52 33 1 0 0 0 0 43 53 1 6 0 0 0 54 48 2 0 0 0 0 50 55 1 1 0 0 0 56 10 1 0 0 0 0 38 56 1 1 0 0 0 57 11 1 0 0 0 0 39 57 1 1 0 0 0 58 25 1 0 0 0 0 58 47 1 0 0 0 0 59 31 1 0 0 0 0 59 40 1 0 0 0 0 60 32 1 0 0 0 0 60 41 1 0 0 0 0 61 36 1 0 0 0 0 61 48 1 0 0 0 0 41 62 1 6 0 0 0 44 62 1 1 0 0 0 40 63 1 1 0 0 0 46 63 1 1 0 0 0 64 35 1 0 0 0 0 49 64 1 6 0 0 0 65 45 1 0 0 0 0 65 49 1 0 0 0 0 66 13 1 0 0 0 0 67 14 1 0 0 0 0 68 15 1 0 0 0 0 69 16 1 0 0 0 0 70 26 1 0 0 0 0 27 71 1 6 0 0 0 29 72 1 1 0 0 0 31 73 1 6 0 0 0 32 74 1 6 0 0 0 35 75 1 1 0 0 0 36 76 1 1 0 0 0 37 77 1 6 0 0 0 38 78 1 6 0 0 0 39 79 1 6 0 0 0 40 80 1 1 0 0 0 41 81 1 1 0 0 0 42 82 1 6 0 0 0 43 83 1 1 0 0 0 44 84 1 6 0 0 0 45 85 1 6 0 0 0 46 86 1 1 0 0 0 47 87 1 1 0 0 0 M END > CHEM020193 > chemdb > [H]\C1=C(C)/[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@]([H])(N=C(C)O)[C@]([H])(C)O3)[C@]([H])(C)O2)[C@@]([H])(C)\C([H])=C(/[H])\C(\[H])=C2/CO[C@]3([H])[C@]([H])(O)C(C)=C[C@@]([H])(C(=O)O[C@@]4([H])C[C@@]([H])(C1)O[C@@]1(C4)O[C@]([H])(C([H])(C)CC)[C@@]([H])(C)C=C1)[C@]23O > InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13+,28-16+,34-15+/t26?,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1 > ZKWQQXZUCOBISE-BTUYMBSXSA-N > C50H75NO14 > 914.143 > 913.518756099 > 14 > 140 > 100.00500119540357 > 0 > 3 > 0 > 0 > N-[(2S,3R,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,20'R,21'R,24'S)-6-(butan-2-yl)-21',24'-dihydroxy-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'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]ethanimidic acid > 4.40 > 6.3800018583333316 > -5.30 > 1 > 7 > 0 > 12.55354125051769 > 5.741002195329075 > 2.64122434104189 > 182.42 > 242.80280000000005 > 9 > 0 > 4.62e-03 g/l > N-[(2S,3R,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,20'R,21'R,24'S)-21',24'-dihydroxy-5,11',13',22'-tetramethyl-6-(sec-butyl)-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'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]ethanimidic acid > 0 > Eprinomectin B1a > 133305-88-1 $$$$