Structure #1 Mrv0541 02241207312D 78 78 0 0 0 0 999 V2000 -35.0091 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.2946 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.4367 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.5788 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.7210 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.8631 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0052 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1473 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 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 -32.8657 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.0078 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.1499 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.2920 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4341 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5762 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -33.5801 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.1512 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.7223 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.2933 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.8644 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.4354 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.0065 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.5775 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1486 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7197 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2907 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8618 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.2946 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.4367 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.5788 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.7210 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.8631 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0052 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1473 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.0000 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 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 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 -1.2375 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 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4454 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 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 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 47 1 0 0 0 0 3 48 1 0 0 0 0 4 49 1 0 0 0 0 5 50 1 0 0 0 0 6 51 1 0 0 0 0 7 52 1 0 0 0 0 8 53 1 0 0 0 0 9 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 12 57 1 0 0 0 0 13 58 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 26 15 1 4 0 0 0 15 27 1 0 0 0 0 28 16 1 4 0 0 0 16 29 1 0 0 0 0 30 17 1 4 0 0 0 17 31 1 0 0 0 0 32 18 1 4 0 0 0 18 33 1 0 0 0 0 34 19 1 4 0 0 0 19 35 1 0 0 0 0 36 20 1 4 0 0 0 20 37 1 0 0 0 0 38 21 1 4 0 0 0 21 39 1 0 0 0 0 40 22 1 4 0 0 0 22 41 1 0 0 0 0 42 23 1 4 0 0 0 23 43 1 0 0 0 0 24 47 2 0 0 0 0 25 48 1 0 0 0 0 26 48 2 0 0 0 0 27 49 1 0 0 0 0 28 49 2 0 0 0 0 29 50 1 0 0 0 0 30 50 2 0 0 0 0 31 51 1 0 0 0 0 32 51 2 0 0 0 0 33 52 1 0 0 0 0 34 52 2 0 0 0 0 35 53 1 0 0 0 0 36 53 2 0 0 0 0 37 54 1 0 0 0 0 38 54 2 0 0 0 0 39 55 1 0 0 0 0 40 55 2 0 0 0 0 41 56 1 0 0 0 0 42 56 2 0 0 0 0 43 57 1 0 0 0 0 44 45 1 4 0 0 0 44 57 2 0 0 0 0 45 73 1 0 0 0 0 46 59 1 0 0 0 0 46 65 1 0 0 0 0 58 64 2 0 0 0 0 58 66 1 0 0 0 0 59 61 1 0 0 0 0 59 74 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 64 60 1 4 0 0 0 61 62 1 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 74 1 0 0 0 0 63 75 1 0 0 0 0 69 77 1 0 0 0 0 70 77 2 0 0 0 0 71 78 1 0 0 0 0 72 78 2 0 0 0 0 73 77 1 0 0 0 0 75 78 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 M END > M2MDB001365 > M2MDB > CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(=O)OC1OC(CO)C(O)C(O)C1N=C(C)O > InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72) > NEVJGTXBHJNFAZ-UHFFFAOYSA-N > C63H105NO12P2 > 1130.4548 > 1129.711200853 > 10 > 132.72172883250744 > 0 > 6 > 0 > 0 > N-(4,5-dihydroxy-2-{[hydroxy({hydroxy[(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)oxy]phosphoryl}oxy)phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid > 8.48 > 14.819049717231662 > -6.46 > 0 > 1 > -2 > 3.1579740864231054 > 1.8848500582916867 > 1.2044489293488554 > 204.79999999999995 > 330.91869999999994 > 39 > 0 > 3.93e-04 g/l > N-[4,5-dihydroxy-2-({hydroxy[hydroxy(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)oxyphosphoryl]oxyphosphoryl}oxy)-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > 0 > ECMDB20560 > Undecaprenyl-N-acetyl-alpha-D-glucosaminyl-pyrophosphate $$$$