Mrv0541 08141218102D 112114 0 0 0 0 999 V2000 36.4380 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -7.8375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1763 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -5.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -7.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -6.6000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 17 1 0 0 0 0 29 17 1 0 0 0 0 30 18 1 0 0 0 0 31 18 1 0 0 0 0 32 19 1 0 0 0 0 33 19 1 0 0 0 0 34 20 1 0 0 0 0 35 20 1 0 0 0 0 36 21 1 0 0 0 0 37 21 1 0 0 0 0 38 22 1 0 0 0 0 39 22 1 0 0 0 0 40 23 1 0 0 0 0 41 23 1 0 0 0 0 42 24 1 0 0 0 0 43 24 1 0 0 0 0 44 25 1 0 0 0 0 45 25 1 0 0 0 0 47 46 1 0 0 0 0 50 1 1 0 0 0 0 50 2 1 0 0 0 0 50 26 2 0 0 0 0 51 3 1 0 0 0 0 51 27 1 0 0 0 0 51 28 2 0 0 0 0 52 4 1 0 0 0 0 52 29 1 0 0 0 0 52 30 2 0 0 0 0 53 5 1 0 0 0 0 53 31 1 0 0 0 0 53 32 2 0 0 0 0 54 6 1 0 0 0 0 54 33 1 0 0 0 0 54 34 2 0 0 0 0 55 7 1 0 0 0 0 55 35 1 0 0 0 0 55 36 2 0 0 0 0 56 8 1 0 0 0 0 56 37 1 0 0 0 0 56 38 2 0 0 0 0 57 9 1 0 0 0 0 57 39 1 0 0 0 0 57 40 2 0 0 0 0 58 10 1 0 0 0 0 58 41 1 0 0 0 0 58 42 2 0 0 0 0 59 11 1 0 0 0 0 59 43 1 0 0 0 0 59 44 2 0 0 0 0 60 12 1 0 0 0 0 60 45 1 0 0 0 0 60 46 2 0 0 0 0 61 13 1 0 0 0 0 62 14 1 0 0 0 0 63 15 1 0 0 0 0 64 48 1 0 0 0 0 65 49 1 0 0 0 0 67 61 1 0 0 0 0 68 64 1 0 0 0 0 69 65 1 0 0 0 0 70 68 1 0 0 0 0 71 70 1 0 0 0 0 72 66 1 0 0 0 0 72 69 1 0 0 0 0 73 67 1 0 0 0 0 74 73 1 0 0 0 0 75 66 1 0 0 0 0 76 71 1 0 0 0 0 77 74 1 0 0 0 0 78 62 2 0 0 0 0 78 66 1 4 0 0 0 79 48 1 0 0 0 0 80 49 1 0 0 0 0 81 62 1 0 0 0 0 82 63 2 0 0 0 0 83 67 1 0 0 0 0 84 68 1 0 0 0 0 85 69 1 0 0 0 0 86 70 1 0 0 0 0 87 71 1 0 0 0 0 92 47 1 0 0 0 0 93 61 1 0 0 0 0 93 77 1 0 0 0 0 94 63 1 0 0 0 0 94 74 1 0 0 0 0 95 65 1 0 0 0 0 95 75 1 0 0 0 0 96 64 1 0 0 0 0 96 76 1 0 0 0 0 97 72 1 0 0 0 0 97 77 1 0 0 0 0 98 73 1 0 0 0 0 98 76 1 0 0 0 0 99 75 1 0 0 0 0 101 88 1 0 0 0 0 101 89 2 0 0 0 0 101 92 1 0 0 0 0 101100 1 0 0 0 0 102 90 1 0 0 0 0 102 91 2 0 0 0 0 102 99 1 0 0 0 0 102100 1 0 0 0 0 103 28 1 0 0 0 0 104 30 1 0 0 0 0 105 32 1 0 0 0 0 106 34 1 0 0 0 0 107 36 1 0 0 0 0 108 38 1 0 0 0 0 109 40 1 0 0 0 0 110 42 1 0 0 0 0 111 44 1 0 0 0 0 112 46 1 0 0 0 0 M CHG 2 81 -1 88 -1 M END > M2MDB001739 > M2MDB > [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])COP([O-])(=O)OP(O)(=O)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC(C)=O)C1N=C(C)[O-])=C(\C)CCC=C(C)C > InChI=1S/C77H127NO22P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-92-101(88,89)100-102(90,91)99-75-66(78-62(14)81)72(69(85)65(49-80)95-75)97-77-74(94-63(15)82)73(67(83)61(13)93-77)98-76-71(87)70(86)68(84)64(48-79)96-76/h26,28,30,32,34,36,38,40,42,44,46,61,64-77,79-80,83-87H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,78,81)(H,88,89)(H,90,91)/p-2/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-46+ > QZKSQRMITRSRFM-QUNHHUOXSA-L > C77H125NO22P2 > 1478.7574 > 1477.816847713 > 19 > 166.07104940465751 > 0 > 8 > -2 > 0 > N-(4-{[3-(acetyloxy)-5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanecarboximidate > 7.04 > 13.336378853 > -5.76 > 1 > 3 > -1 > 3.150378281847774 > 1.730298164758774 > -3.6197733375639967 > 354.60000000000014 > 412.78169999999994 > 46 > 0 > 2.66e-03 g/l > N-(4-{[3-(acetyloxy)-5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-({hydroxy[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxyphosphoryl}oxy)-6-(hydroxymethyl)oxan-3-yl)ethanecarboximidate > 0 > ECMDB21339 > Glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate $$$$