Mrv1533006301518172D 93 93 0 0 0 0 999 V2000 6.0730 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0742 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6453 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6453 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6453 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9308 9.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2164 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9308 10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2164 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6453 9.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6453 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9624 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6124 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0894 8.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9144 7.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 6.6000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 7.8375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6453 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6453 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9308 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9308 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 15 1 0 0 0 0 27 15 1 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 17 1 0 0 0 0 31 17 1 0 0 0 0 32 18 1 0 0 0 0 33 18 1 0 0 0 0 34 19 1 0 0 0 0 35 19 1 0 0 0 0 36 20 1 0 0 0 0 37 20 1 0 0 0 0 38 21 1 0 0 0 0 39 21 1 0 0 0 0 40 22 1 0 0 0 0 41 22 1 0 0 0 0 42 23 1 0 0 0 0 43 23 1 0 0 0 0 45 44 1 0 0 0 0 47 1 1 0 0 0 0 47 2 1 0 0 0 0 47 24 2 0 0 0 0 48 3 1 0 0 0 0 48 25 1 0 0 0 0 48 26 2 0 0 0 0 49 4 1 0 0 0 0 49 27 1 0 0 0 0 49 28 2 0 0 0 0 50 5 1 0 0 0 0 50 29 1 0 0 0 0 50 30 2 0 0 0 0 51 6 1 0 0 0 0 51 31 1 0 0 0 0 51 32 2 0 0 0 0 52 7 1 0 0 0 0 52 33 1 0 0 0 0 52 34 2 0 0 0 0 53 8 1 0 0 0 0 53 35 1 0 0 0 0 53 36 2 0 0 0 0 54 9 1 0 0 0 0 54 37 1 0 0 0 0 54 38 2 0 0 0 0 55 10 1 0 0 0 0 55 39 1 0 0 0 0 55 40 2 0 0 0 0 56 11 1 0 0 0 0 56 41 1 0 0 0 0 56 42 2 0 0 0 0 57 12 1 0 0 0 0 57 43 1 0 0 0 0 57 44 2 0 0 0 0 58 13 1 4 0 0 0 59 46 1 1 0 0 0 61 59 1 0 0 0 0 62 60 1 0 0 0 0 62 61 1 0 0 0 0 63 60 1 0 0 0 0 64 58 2 0 0 0 0 60 64 1 6 0 0 0 65 46 1 0 0 0 0 66 58 1 0 0 0 0 61 67 1 6 0 0 0 62 68 1 6 0 0 0 73 45 1 0 0 0 0 74 59 1 0 0 0 0 74 63 1 0 0 0 0 75 63 1 0 0 0 0 77 69 1 0 0 0 0 77 70 2 0 0 0 0 77 73 1 0 0 0 0 77 76 1 0 0 0 0 78 71 1 0 0 0 0 78 72 2 0 0 0 0 78 75 1 0 0 0 0 78 76 1 0 0 0 0 79 26 1 0 0 0 0 80 28 1 0 0 0 0 81 30 1 0 0 0 0 82 32 1 0 0 0 0 83 34 1 0 0 0 0 84 36 1 0 0 0 0 85 38 1 0 0 0 0 86 40 1 0 0 0 0 87 42 1 0 0 0 0 88 44 1 0 0 0 0 59 89 1 6 0 0 0 60 90 1 1 0 0 0 61 91 1 1 0 0 0 62 92 1 6 0 0 0 93 63 1 0 0 0 0 M END > M2MDB006374 > 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)OC1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C > 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)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61-,62-,63?/m1/s1 > NEVJGTXBHJNFAZ-PSDVTIBRSA-N > C63H105NO12P2 > 1130.476 > 1129.711201821 > 10 > 183 > 125.5429966544549 > 0 > 6 > 0 > 0 > N-[(3R,4R,5S,6R)-4,5-dihydroxy-2-{[hydroxy({[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > 8.48 > 14.832181875858867 > -6.46 > 0 > 1 > -2 > 3.176206899133554 > 1.8846174911777291 > 1.2039227808519217 > 204.79999999999995 > 330.91869999999994 > 39 > 0 > 3.93e-04 g/l > N-[(3R,4R,5S,6R)-4,5-dihydroxy-2-{[hydroxy({hydroxy[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxyphosphoryl}oxy)phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > 0 > ECMDB24257 > N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol $$$$