Mrv1572001261617022D 93 97 0 0 0 0 999 V2000 -4.1934 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4082 9.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 6.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 6.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 -1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 -1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 -1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 6.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 8.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 -1.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -0.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 8.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0651 8.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 8.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 5.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8497 8.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 5.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0543 8.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3425 -0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8167 8.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6452 7.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0212 9.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 7.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7848 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2869 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2036 9.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 8.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4190 8.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8059 9.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 9.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 8.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5839 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9339 -0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 7.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 7.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8999 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8245 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 2.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2474 8.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2499 -0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 3.1124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8605 7.5532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3751 9.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9774 10.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 10.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 8.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3254 0.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.6444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 2.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4628 7.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 1.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 8.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2103 -1.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 -0.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9575 1.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 0.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1008 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0147 7.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 0.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 0.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3944 0.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -1.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6235 9.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 0.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 7.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 7.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 5.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 4.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6782 7.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 5.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 9.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 0 0 0 0 16 2 1 0 0 0 0 17 15 2 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 23 22 2 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 19 2 0 0 0 0 29 23 1 0 0 0 0 30 28 2 0 0 0 0 31 3 1 0 0 0 0 31 24 2 0 0 0 0 32 4 1 0 0 0 0 32 25 2 0 0 0 0 33 5 1 0 0 0 0 34 6 1 0 0 0 0 35 7 1 0 0 0 0 36 16 1 0 0 0 0 37 28 1 0 0 0 0 38 26 1 0 0 0 0 39 27 1 0 0 0 0 40 37 1 0 0 0 0 41 31 1 0 0 0 0 41 40 2 0 0 0 0 42 38 1 0 0 0 0 43 42 1 0 0 0 0 46 32 1 0 0 0 0 46 33 1 0 0 0 0 47 33 1 0 0 0 0 47 43 1 0 0 0 0 48 34 1 0 0 0 0 48 44 1 0 0 0 0 49 35 1 0 0 0 0 50 45 1 0 0 0 0 50 49 1 0 0 0 0 51 44 1 0 0 0 0 53 52 1 0 0 0 0 54 36 1 0 0 0 0 55 40 1 0 0 0 0 56 45 1 0 0 0 0 57 51 1 0 0 0 0 58 8 1 0 0 0 0 58 9 1 0 0 0 0 58 39 1 0 0 0 0 58 53 1 0 0 0 0 59 36 1 0 0 0 0 59 52 1 0 0 0 0 60 29 1 4 0 0 0 60 54 2 0 0 0 0 61 10 1 0 0 0 0 61 30 1 0 0 0 0 61 55 1 0 0 0 0 62 37 2 0 0 0 0 63 41 1 0 0 0 0 64 42 1 0 0 0 0 65 43 1 0 0 0 0 66 44 1 0 0 0 0 67 45 1 0 0 0 0 68 52 1 0 0 0 0 69 54 1 0 0 0 0 70 55 2 0 0 0 0 71 59 1 0 0 0 0 72 11 1 0 0 0 0 72 46 1 0 0 0 0 73 12 1 0 0 0 0 73 48 1 0 0 0 0 74 13 1 0 0 0 0 74 50 1 0 0 0 0 75 14 1 0 0 0 0 75 51 1 0 0 0 0 76 35 1 0 0 0 0 76 56 1 0 0 0 0 77 34 1 0 0 0 0 77 57 1 0 0 0 0 78 38 1 0 0 0 0 78 47 1 0 0 0 0 79 49 1 0 0 0 0 79 57 1 0 0 0 0 80 53 1 0 0 0 0 80 56 1 0 0 0 0 81 39 1 0 0 0 0 81 59 1 0 0 0 0 82 15 1 0 0 0 0 83 17 1 0 0 0 0 84 18 1 0 0 0 0 85 19 1 0 0 0 0 86 20 1 0 0 0 0 87 21 1 0 0 0 0 88 22 1 0 0 0 0 89 23 1 0 0 0 0 90 24 1 0 0 0 0 91 25 1 0 0 0 0 92 26 1 0 0 0 0 93 27 1 0 0 0 0 M END > DB11401 > drugbank > [H]\C(C)=C(\[H])/C(/[H])=C(\[H])C1OC(O)(C(CC)C(O)=NC\C([H])=C(/[H])\C(\[H])=C(/C)C(OC)C(C)C2OC(\C([H])=C(/[H])\C(\[H])=C(/[H])C([H])=C(C)C(\O)=C3\C(=O)C=CN(C)C3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C > InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,63-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15+,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+,41-40+ > ZLECMEJICSWJLT-LIWMBINXSA-N > C59H88N2O20 > 1145.347 > 1144.593043242 > 21 > 169 > 124.58934854246371 > 0 > 8 > 0 > 0 > 2-[2,3-dihydroxy-4-({3-hydroxy-5-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]oxan-2-yl]-N-[(2E,4E)-7-{3,4-dihydroxy-5-[(1E,3E,5E)-7-hydroxy-6-methyl-7-[(3Z)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyridin-3-ylidene]hepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]butanimidic acid > 5.03 > 4.232574292333331 > -4.84 > 1 > 5 > -1 > 5.569641673869573 > 4.965969179990849 > 2.957145589093846 > 303.88000000000005 > 304.21669999999983 > 23 > 0 > 1.66e-02 g/l > 2-[2,3-dihydroxy-4-({3-hydroxy-5-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]oxan-2-yl]-N-[(2E,4E)-7-{3,4-dihydroxy-5-[(1E,3E,5E)-7-hydroxy-6-methyl-7-[(3Z)-1-methyl-2,4-dioxopyridin-3-ylidene]hepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]butanimidic acid > 0 > DB11401 > vet_approved > Efrotomycin > Efrotomycin $$$$