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-23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -34.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -33.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -32.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.9000 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 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -35.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -32.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -25.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -10.3125 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 0.0000 -2.4750 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 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 2.8579 -4.1250 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 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 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 0.0000 -1.6500 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 3.5724 -2.8875 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 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 2.1434 -3.7125 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 -6.4302 -32.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -30.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -27.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -25.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -22.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -20.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -17.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -15.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -12.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -10.3125 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 49 1 1 0 0 0 0 49 2 1 0 0 0 0 49 26 2 0 0 0 0 50 3 1 0 0 0 0 50 27 1 0 0 0 0 50 28 2 0 0 0 0 51 4 1 0 0 0 0 51 29 1 0 0 0 0 51 30 2 0 0 0 0 52 5 1 0 0 0 0 52 31 1 0 0 0 0 52 32 2 0 0 0 0 53 6 1 0 0 0 0 53 33 1 0 0 0 0 53 34 2 0 0 0 0 54 7 1 0 0 0 0 54 35 1 0 0 0 0 54 36 2 0 0 0 0 55 8 1 0 0 0 0 55 37 1 0 0 0 0 55 38 2 0 0 0 0 56 9 1 0 0 0 0 56 39 1 0 0 0 0 56 40 2 0 0 0 0 57 10 1 0 0 0 0 57 41 1 0 0 0 0 57 42 2 0 0 0 0 58 11 1 0 0 0 0 58 43 1 0 0 0 0 58 44 2 0 0 0 0 59 12 1 0 0 0 0 59 45 1 0 0 0 0 59 46 2 0 0 0 0 60 13 1 0 0 0 0 61 14 1 0 0 0 0 62 15 1 0 0 0 0 63 48 1 0 0 0 0 65 60 1 0 0 0 0 66 63 1 0 0 0 0 67 65 1 0 0 0 0 68 64 1 0 0 0 0 68 66 1 0 0 0 0 69 67 1 0 0 0 0 70 64 1 0 0 0 0 71 69 1 0 0 0 0 72 61 2 0 0 0 0 72 64 1 4 0 0 0 73 48 1 0 0 0 0 74 61 1 0 0 0 0 75 62 2 0 0 0 0 76 65 1 0 0 0 0 77 66 1 0 0 0 0 78 67 1 0 0 0 0 83 47 1 0 0 0 0 84 60 1 0 0 0 0 84 71 1 0 0 0 0 85 62 1 0 0 0 0 85 69 1 0 0 0 0 86 63 1 0 0 0 0 86 70 1 0 0 0 0 87 68 1 0 0 0 0 87 71 1 0 0 0 0 88 70 1 0 0 0 0 90 79 1 0 0 0 0 90 80 2 0 0 0 0 90 83 1 0 0 0 0 90 89 1 0 0 0 0 91 81 1 0 0 0 0 91 82 2 0 0 0 0 91 88 1 0 0 0 0 91 89 1 0 0 0 0 92 28 1 0 0 0 0 93 30 1 0 0 0 0 94 32 1 0 0 0 0 95 34 1 0 0 0 0 96 36 1 0 0 0 0 97 38 1 0 0 0 0 98 40 1 0 0 0 0 99 42 1 0 0 0 0 100 44 1 0 0 0 0 101 46 1 0 0 0 0 M CHG 2 74 -1 79 -1 M END > M2MDB001664 > 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(O)C2OC(C)=O)C1N=C(C)[O-])=C(\C)CCC=C(C)C > InChI=1S/C71H117NO17P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-83-90(79,80)89-91(81,82)88-70-64(72-61(14)74)68(66(77)63(48-73)86-70)87-71-69(85-62(15)75)67(78)65(76)60(13)84-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,73,76-78H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,74)(H,79,80)(H,81,82)/p-2/b50-28+,51-30+,52-32+,53-34+,54-36+,55-38+,56-40+,57-42+,58-44+,59-46+ > WYHMIVUCEAXZMZ-LRILUZMESA-L > C71H115NO17P2 > 1316.6168 > 1315.764024283 > 14 > 150.46499491884646 > 0 > 5 > -2 > 0 > N-(4-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-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 > 7.71 > 14.540375572700878 > -6.43 > 0 > 2 > -2 > 3.1573268911089687 > 1.8738533442502927 > 1.1775807934853026 > 275.45 > 380.3684 > 43 > 0 > 5.00e-04 g/l > N-(4-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-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 > ECMDB21256 > O-Acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate $$$$