Mrv0541 08141218122D 98 99 0 0 0 0 999 V2000 -9.2881 -35.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -34.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -32.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -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 -8.5737 -33.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -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 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 1.4289 -2.4750 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 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 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 0.7145 -2.8875 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 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 25 15 1 0 0 0 0 26 15 1 0 0 0 0 27 16 1 0 0 0 0 28 16 1 0 0 0 0 29 17 1 0 0 0 0 30 17 1 0 0 0 0 31 18 1 0 0 0 0 32 18 1 0 0 0 0 33 19 1 0 0 0 0 34 19 1 0 0 0 0 35 20 1 0 0 0 0 36 20 1 0 0 0 0 37 21 1 0 0 0 0 38 21 1 0 0 0 0 39 22 1 0 0 0 0 40 22 1 0 0 0 0 41 23 1 0 0 0 0 42 23 1 0 0 0 0 43 24 1 0 0 0 0 44 24 1 0 0 0 0 46 45 1 0 0 0 0 48 1 1 0 0 0 0 48 2 1 0 0 0 0 48 25 2 0 0 0 0 49 3 1 0 0 0 0 49 26 1 0 0 0 0 49 27 2 0 0 0 0 50 4 1 0 0 0 0 50 28 1 0 0 0 0 50 29 2 0 0 0 0 51 5 1 0 0 0 0 51 30 1 0 0 0 0 51 31 2 0 0 0 0 52 6 1 0 0 0 0 52 32 1 0 0 0 0 52 33 2 0 0 0 0 53 7 1 0 0 0 0 53 34 1 0 0 0 0 53 35 2 0 0 0 0 54 8 1 0 0 0 0 54 36 1 0 0 0 0 54 37 2 0 0 0 0 55 9 1 0 0 0 0 55 38 1 0 0 0 0 55 39 2 0 0 0 0 56 10 1 0 0 0 0 56 40 1 0 0 0 0 56 41 2 0 0 0 0 57 11 1 0 0 0 0 57 42 1 0 0 0 0 57 43 2 0 0 0 0 58 12 1 0 0 0 0 58 44 1 0 0 0 0 58 45 2 0 0 0 0 59 13 1 0 0 0 0 60 14 1 0 0 0 0 61 47 1 0 0 0 0 63 59 1 0 0 0 0 64 61 1 0 0 0 0 65 63 1 0 0 0 0 66 65 1 0 0 0 0 67 62 1 0 0 0 0 67 64 1 0 0 0 0 68 62 1 0 0 0 0 69 66 1 0 0 0 0 70 60 2 0 0 0 0 70 62 1 4 0 0 0 71 47 1 0 0 0 0 72 60 1 0 0 0 0 73 63 1 0 0 0 0 74 64 1 0 0 0 0 75 65 1 0 0 0 0 76 66 1 0 0 0 0 81 46 1 0 0 0 0 82 59 1 0 0 0 0 82 69 1 0 0 0 0 83 61 1 0 0 0 0 83 68 1 0 0 0 0 84 67 1 0 0 0 0 84 69 1 0 0 0 0 85 68 1 0 0 0 0 87 77 1 0 0 0 0 87 78 2 0 0 0 0 87 81 1 0 0 0 0 87 86 1 0 0 0 0 88 79 1 0 0 0 0 88 80 2 0 0 0 0 88 85 1 0 0 0 0 88 86 1 0 0 0 0 89 27 1 0 0 0 0 90 29 1 0 0 0 0 91 31 1 0 0 0 0 92 33 1 0 0 0 0 93 35 1 0 0 0 0 94 37 1 0 0 0 0 95 39 1 0 0 0 0 96 41 1 0 0 0 0 97 43 1 0 0 0 0 98 45 1 0 0 0 0 M CHG 2 72 -1 77 -1 M END > M2MDB001751 > 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)C2O)C1N=C(C)[O-])=C(\C)CCC=C(C)C > InChI=1S/C69H115NO16P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-81-87(77,78)86-88(79,80)85-68-62(70-60(14)72)67(64(74)61(47-71)83-68)84-69-66(76)65(75)63(73)59(13)82-69/h25,27,29,31,33,35,37,39,41,43,45,59,61-69,71,73-76H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,70,72)(H,77,78)(H,79,80)/p-2/b49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+,58-45+ > ORYXFVQODWYDMG-JXWMOMLFSA-L > C69H113NO16P2 > 1274.5801 > 1273.753459597 > 14 > 146.30366397357562 > 0 > 6 > -2 > 0 > N-(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)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)ethanecarboximidate > 7.55 > 14.66608908833333 > -6.33 > 0 > 2 > -1 > 3.1503885668517277 > 1.7302985887532056 > -3.61218260484305 > 269.38 > 371.2168999999999 > 41 > 0 > 6.07e-04 g/l > N-[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)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]ethanecarboximidate > 0 > ECMDB21353 > Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate $$$$