Mrv0541 02241203552D 93 94 0 0 1 0 999 V2000 7.7214 -14.3876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7214 -15.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0070 -13.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -15.6251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2925 -14.3876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2925 -15.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5780 -15.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -16.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4359 -15.6251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4359 -13.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1504 -14.3876 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.5629 -13.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8649 -14.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 -15.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5793 -14.3876 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9918 -15.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1668 -13.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2938 -13.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -13.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -13.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4359 -16.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1503 -16.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7214 -16.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 -16.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8636 -16.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1491 -15.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 -17.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4346 -16.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4346 -16.8626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7201 -17.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 -18.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -17.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -15.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -14.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -18.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 -18.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 -18.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4545 -15.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4429 -14.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 -13.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1514 -13.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0140 -14.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3121 -15.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3005 -14.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5802 -13.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0090 -13.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -14.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1697 -15.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1581 -14.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4378 -13.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8667 -13.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7293 -14.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0273 -15.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0157 -14.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2955 -13.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7243 -13.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5869 -14.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8849 -15.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8733 -14.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1531 -13.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5819 -13.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4445 -14.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7425 -14.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7309 -14.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0107 -13.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4395 -13.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3021 -14.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6001 -14.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5885 -14.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8683 -13.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2971 -13.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1597 -14.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4578 -14.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4462 -14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7259 -13.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1547 -13.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0174 -14.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3154 -14.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3038 -14.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5835 -13.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0123 -13.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8750 -14.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1730 -14.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1614 -13.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4412 -13.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8700 -13.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7326 -14.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0306 -14.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0190 -13.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2988 -13.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7276 -13.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5902 -13.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 -16.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 6 0 0 0 4 8 1 1 0 0 0 2 9 1 6 0 0 0 1 10 1 6 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 10 11 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 15 1 0 0 0 0 13 15 1 0 0 0 0 5 19 1 1 0 0 0 20 19 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 28 1 0 0 0 0 29 30 1 6 0 0 0 27 31 1 1 0 0 0 25 32 1 1 0 0 0 24 7 1 1 0 0 0 28 33 1 1 0 0 0 34 33 2 0 0 0 0 35 32 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 18 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 2 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 41 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 52 50 1 0 0 0 0 46 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 57 55 1 0 0 0 0 51 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 2 0 0 0 0 61 59 1 0 0 0 0 62 60 1 0 0 0 0 56 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 2 0 0 0 0 66 64 1 0 0 0 0 67 65 1 0 0 0 0 61 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 2 0 0 0 0 71 69 1 0 0 0 0 72 70 1 0 0 0 0 66 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 2 0 0 0 0 76 74 1 0 0 0 0 77 75 1 0 0 0 0 71 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 2 0 0 0 0 81 79 1 0 0 0 0 82 80 1 0 0 0 0 76 82 1 0 0 0 0 84 83 1 0 0 0 0 85 84 2 0 0 0 0 86 84 1 0 0 0 0 87 85 1 0 0 0 0 81 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 2 0 0 0 0 91 89 1 0 0 0 0 92 90 1 0 0 0 0 86 92 1 0 0 0 0 93 33 1 0 0 0 0 M END > BMDB0012306 > bmdb > OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C > InChI=1S/C71H116N2O18P2/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)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/b49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+,58-45+/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1 > IGGGNUSEBUZFTR-CDDUTUKUSA-N > C71H116N2O18P2 > 1347.6309 > 1346.769837942 > 15 > 154.12278617210632 > 0 > 9 > 0 > 0 > (2S,3S,4R,5S,6R)-5-acetamido-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-6-{[hydroxy({[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]oxy})phosphoryl]oxy})phosphoryl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid > 7.45 > 12.831814339 > -6.13 > 0 > 2 > -3 > 2.9512865727986637 > 1.7226562375496135 > -3.5257782066762573 > 306.4 > 373.779 > 43 > 0 > 9.89e-04 g/l > (2S,3S,4R,5S,6R)-5-acetamido-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-6-{[hydroxy({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]oxyphosphoryl}oxy)phosphoryl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid > 0 > BMDB0012306 > Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate $$$$