Mrv1652303102016452D 103109 0 0 1 0 999 V2000 5.2321 -6.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2321 -6.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9453 -7.2721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6587 -6.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6587 -6.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9453 -5.6249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9453 -4.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -5.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -7.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 -8.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -8.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -9.3349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5159 -9.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -10.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2321 -10.9879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9453 -10.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9453 -9.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 -8.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 -10.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -11.8130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6616 -10.9879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3749 -10.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6616 -11.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0912 -10.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 -9.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 -10.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 -5.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -6.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0883 -6.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8016 -7.2721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5150 -6.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5150 -6.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8016 -5.6249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8016 -4.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -4.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2312 -7.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9445 -6.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8016 -8.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 -7.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6608 -7.2721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3741 -6.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3741 -6.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6608 -5.6249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9445 -6.0374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2312 -5.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6608 -4.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3741 -4.3872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3741 -3.5621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0875 -4.7998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6608 -3.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 -3.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9445 -3.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8036 -4.3872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0875 -5.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5170 -4.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8036 -3.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 -7.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8036 -6.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5170 -7.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5227 -8.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2389 -8.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9493 -8.0972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9493 -7.2721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2389 -6.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2418 -6.0402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2389 -9.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5255 -9.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6627 -8.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6627 -9.3349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9465 -9.7502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9465 -10.5782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6627 -10.9907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3761 -10.5782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3761 -9.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2332 -10.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2332 -10.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6627 -11.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0894 -10.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6627 -6.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4878 -6.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8056 -10.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9004 -7.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7254 -7.5758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1379 -6.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7254 -6.1463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9004 -6.1463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4878 -5.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1379 -5.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9630 -6.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1379 -8.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4384 -9.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2539 -8.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 -11.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -12.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -13.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3721 -8.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -8.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -9.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9552 -4.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9552 -5.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6714 -6.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6522 -7.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1514 -3.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 1 8 1 6 0 0 0 2 9 1 6 0 0 0 3 10 1 6 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 14 19 1 1 0 0 0 15 20 1 6 0 0 0 16 21 1 1 0 0 0 21 22 1 0 0 0 0 21 23 1 1 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 24 26 1 0 0 0 0 5 27 1 6 0 0 0 28 27 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 31 36 1 1 0 0 0 37 36 1 6 0 0 0 30 38 1 6 0 0 0 29 39 1 1 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 1 0 0 0 43 46 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 6 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 1 0 0 0 50 52 1 0 0 0 0 49 53 1 0 0 0 0 49 54 1 1 0 0 0 53 55 1 0 0 0 0 53 56 1 1 0 0 0 41 57 1 6 0 0 0 57 58 1 0 0 0 0 58 59 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 59 64 1 0 0 0 0 64 65 1 6 0 0 0 61 66 1 1 0 0 0 66 67 1 0 0 0 0 62 68 1 6 0 0 0 69 68 1 6 0 0 0 70 69 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 1 0 0 0 71 76 1 6 0 0 0 72 77 1 6 0 0 0 73 78 1 6 0 0 0 63 79 1 1 0 0 0 80 79 1 1 0 0 0 78 81 1 0 0 0 0 80 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 80 86 1 0 0 0 0 86 87 1 1 0 0 0 85 88 1 6 0 0 0 84 89 1 6 0 0 0 83 90 1 6 0 0 0 18 91 2 0 0 0 0 18 92 1 0 0 0 0 20 94 1 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 38 97 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 65100 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 40102 1 6 0 0 0 103 55 2 0 0 0 0 M END > BMDB0095941 > bmdb > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(OC[C@H]3O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C57H95N3O43/c1-14-30(74)37(81)40(84)52(92-14)101-48-29(60-17(4)69)50(94-24(11-66)46(48)100-53-41(85)38(82)33(77)22(9-64)93-53)90-12-25-35(79)49(43(87)55(96-25)98-44(21(73)8-63)31(75)19(71)6-61)102-51-28(59-16(3)68)36(80)45(23(10-65)95-51)99-54-42(86)39(83)34(78)26(97-54)13-91-57(56(88)89)5-18(70)27(58-15(2)67)47(103-57)32(76)20(72)7-62/h6,14,18-55,62-66,70-87H,5,7-13H2,1-4H3,(H,58,67)(H,59,68)(H,60,69)(H,88,89)/t14-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50?,51-,52-,53-,54-,55-,57+/m0/s1 > IOKUYBHFAWYJCU-YVJUBDGKSA-N > C57H95N3O43 > 1510.3585 > 1509.533928801 > 43 > 198 > 144.3585778159316 > 0 > 27 > 0 > 0 > (2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4S,5R,6S)-2-({[(3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > -1.95 > -16.124768804333332 > -1.05 > 1 > 7 > -1 > 11.406351051561977 > 2.892789339627473 > -3.8894382594559334 > 736.1800000000005 > 312.7556 > 31 > 0 > 1.36e+02 g/l > (2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4S,5R,6S)-2-({[(3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > BMDB0095941 > O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-O-2- $$$$