Mrv0541 02241203462D 117118 0 0 1 0 999 V2000 10.4627 -15.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1728 -14.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1640 -14.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 -19.5019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7320 -20.2349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6654 -18.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -20.2733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8413 -18.8460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4625 -19.5788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9349 -19.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4600 -19.3782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0806 -20.1107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0152 -18.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -20.1485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1910 -18.7211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8117 -19.4537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3959 -18.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 -17.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 -19.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -21.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 -20.9294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8771 -20.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 -20.8056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2352 -19.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 -18.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 -17.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 -21.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -22.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 -21.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1461 -21.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5908 -22.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3219 -21.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -18.6511 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -19.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 -17.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9213 -18.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -17.4212 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0876 -17.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -17.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9038 -16.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6137 -16.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 -15.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 -14.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 -14.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0339 -15.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 -14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2850 -13.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5904 -13.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8576 -13.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1630 -13.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2467 -12.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4302 -13.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1398 -13.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4452 -13.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7124 -13.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0178 -13.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1014 -12.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8726 -13.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7357 -13.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0028 -13.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3082 -13.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3919 -12.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5754 -13.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0110 -13.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3165 -14.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5836 -13.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8891 -14.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9727 -13.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1562 -13.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8658 -13.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1712 -14.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4384 -13.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7439 -14.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8275 -12.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7206 -13.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0260 -14.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2932 -13.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5987 -14.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6823 -12.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8809 -13.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1480 -13.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4534 -13.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5371 -12.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4617 -14.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7289 -14.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0343 -14.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1180 -13.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3014 -14.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6069 -14.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8741 -14.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1795 -14.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2632 -13.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4467 -14.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8823 -14.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1878 -15.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 -14.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7603 -15.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8440 -13.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0275 -14.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7371 -14.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0425 -14.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3097 -14.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6152 -15.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6988 -13.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5919 -14.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8973 -14.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1645 -14.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4700 -14.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5536 -13.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7521 -14.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0193 -14.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3247 -14.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4084 -13.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3330 -15.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -14.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 -15.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9893 -13.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 9 8 1 0 0 0 0 4 10 1 1 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 16 10 1 6 0 0 0 8 17 1 1 0 0 0 18 17 1 0 0 0 0 9 19 1 6 0 0 0 7 20 1 1 0 0 0 5 21 1 6 0 0 0 14 22 1 1 0 0 0 12 23 1 6 0 0 0 11 24 1 1 0 0 0 15 25 1 1 0 0 0 26 25 1 0 0 0 0 27 21 1 0 0 0 0 28 27 1 0 0 0 0 29 27 2 0 0 0 0 30 23 1 0 0 0 0 31 30 1 0 0 0 0 32 30 2 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 36 33 1 0 0 0 0 24 33 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 40 37 1 0 0 0 0 36 37 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 43 1 0 0 0 0 46 45 1 0 0 0 0 1 46 1 0 0 0 0 48 47 2 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 47 1 0 0 0 0 52 50 1 0 0 0 0 54 53 2 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 53 1 0 0 0 0 47 56 1 0 0 0 0 53 58 1 0 0 0 0 59 52 2 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 52 1 0 0 0 0 63 61 1 0 0 0 0 65 64 2 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 64 1 0 0 0 0 69 67 1 0 0 0 0 71 70 2 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 70 1 0 0 0 0 64 73 1 0 0 0 0 76 75 2 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 75 1 0 0 0 0 70 78 1 0 0 0 0 80 63 2 0 0 0 0 81 80 1 0 0 0 0 82 81 1 0 0 0 0 83 63 1 0 0 0 0 75 82 1 0 0 0 0 84 69 2 0 0 0 0 85 84 1 0 0 0 0 86 85 1 0 0 0 0 87 69 1 0 0 0 0 88 86 1 0 0 0 0 89 88 2 0 0 0 0 90 89 1 0 0 0 0 91 90 1 0 0 0 0 92 88 1 0 0 0 0 93 91 1 0 0 0 0 95 94 2 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 94 1 0 0 0 0 99 97 1 0 0 0 0 101100 2 0 0 0 0 102101 1 0 0 0 0 103102 1 0 0 0 0 104100 1 0 0 0 0 94103 1 0 0 0 0 106105 2 0 0 0 0 107106 1 0 0 0 0 108107 1 0 0 0 0 109105 1 0 0 0 0 100108 1 0 0 0 0 110 93 2 0 0 0 0 111110 1 0 0 0 0 112111 1 0 0 0 0 113 93 1 0 0 0 0 105112 1 0 0 0 0 114 99 2 0 0 0 0 115114 1 0 0 0 0 116115 1 0 0 0 0 117 99 1 0 0 0 0 2116 1 0 0 0 0 M END > FDB028790 > foodb > OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(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)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 > InChI=1S/C96H160N2O17P2/c1-69(2)35-20-36-70(3)37-21-38-71(4)39-22-40-72(5)41-23-42-73(6)43-24-44-74(7)45-25-46-75(8)47-26-48-76(9)49-27-50-77(10)51-28-52-78(11)53-29-54-79(12)55-30-56-80(13)57-31-58-81(14)59-32-60-82(15)61-33-62-83(16)63-34-64-84(17)65-66-110-116(106,107)115-117(108,109)114-96-90(98-86(19)102)93(105)94(88(68-100)112-96)113-95-89(97-85(18)101)92(104)91(103)87(67-99)111-95/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,84,87-96,99-100,103-105H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-68H2,1-19H3,(H,97,101)(H,98,102)(H,106,107)(H,108,109)/b70-37+,71-39+,72-41+,73-43+,74-45+,75-47+,76-49+,77-51+,78-53+,79-55+,80-57+,81-59+,82-61+,83-63+/t84?,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+/m1/s1 > AGKFOAYTTMSUFA-AYIKJQCISA-N > C96H160N2O17P2 > 1676.2483 > 1675.119224728 > 14 > 203.06692308115407 > 0 > 9 > 0 > 0 > {[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > 8.40 > 21.05978319733334 > -6.52 > 0 > 2 > -2 > 3.1717817375107944 > 1.7444953208041847 > -2.9813431279973566 > 289.33 > 492.22859999999986 > 59 > 0 > 5.01e-04 g/l > [(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid > 0 > FDB028790 > (N-Acetylglucosaminyl)2-diphosphodolichol $$$$