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0 82184 1 0 0 0 0 82185 1 0 0 0 0 83 87 1 0 0 0 0 83186 1 0 0 0 0 84 88 1 0 0 0 0 84187 1 0 0 0 0 84188 1 0 0 0 0 85 89 1 0 0 0 0 85189 1 0 0 0 0 86 90 1 0 0 0 0 86191 1 0 0 0 0 86192 1 0 0 0 0 87 91 1 0 0 0 0 87193 1 0 0 0 0 87194 1 0 0 0 0 88 92 1 0 0 0 0 88196 1 0 0 0 0 88197 1 0 0 0 0 89 93 1 0 0 0 0 89198 1 0 0 0 0 89199 1 0 0 0 0 90 94 1 0 0 0 0 90200 1 0 0 0 0 90201 1 0 0 0 0 91 95 1 0 0 0 0 91202 1 0 0 0 0 91203 1 0 0 0 0 92 96 1 0 0 0 0 92206 1 0 0 0 0 92207 1 0 0 0 0 93 97 1 0 0 0 0 93208 1 0 0 0 0 93209 1 0 0 0 0 94 98 1 0 0 0 0 94210 1 0 0 0 0 94211 1 0 0 0 0 95 99 1 0 0 0 0 95212 1 0 0 0 0 95213 1 0 0 0 0 96100 1 0 0 0 0 96215 1 0 0 0 0 96216 1 0 0 0 0 97101 1 0 0 0 0 97217 1 0 0 0 0 97218 1 0 0 0 0 98102 1 0 0 0 0 98220 1 0 0 0 0 98221 1 0 0 0 0 99103 1 0 0 0 0 99222 1 0 0 0 0 99223 1 0 0 0 0 100105 1 0 0 0 0 100224 1 0 0 0 0 100225 1 0 0 0 0 101104 1 0 0 0 0 101226 1 0 0 0 0 101227 1 0 0 0 0 102107 1 0 0 0 0 102228 1 0 0 0 0 102229 1 0 0 0 0 103106 1 0 0 0 0 103230 1 0 0 0 0 103231 1 0 0 0 0 104108 1 0 0 0 0 104232 1 0 0 0 0 104233 1 0 0 0 0 105109 1 0 0 0 0 105234 1 0 0 0 0 105235 1 0 0 0 0 106110 1 0 0 0 0 106236 1 0 0 0 0 106237 1 0 0 0 0 107111 1 0 0 0 0 107238 1 0 0 0 0 107239 1 0 0 0 0 108112 1 0 0 0 0 108240 1 0 0 0 0 108241 1 0 0 0 0 109113 1 0 0 0 0 109242 1 0 0 0 0 109243 1 0 0 0 0 110114 1 0 0 0 0 110244 1 0 0 0 0 110245 1 0 0 0 0 111116 1 0 0 0 0 111246 1 0 0 0 0 111247 1 0 0 0 0 112115 1 0 0 0 0 112248 1 0 0 0 0 112249 1 0 0 0 0 113117 1 0 0 0 0 113250 1 0 0 0 0 113251 1 0 0 0 0 114118 1 0 0 0 0 114252 1 0 0 0 0 114253 1 0 0 0 0 115119 1 0 0 0 0 115254 1 0 0 0 0 115255 1 0 0 0 0 116120 1 0 0 0 0 116256 1 0 0 0 0 116257 1 0 0 0 0 117122 1 0 0 0 0 117258 1 0 0 0 0 117259 1 0 0 0 0 118121 1 0 0 0 0 118260 1 0 0 0 0 118261 1 0 0 0 0 119123 1 0 0 0 0 119262 1 0 0 0 0 119263 1 0 0 0 0 120264 1 0 0 0 0 120265 1 0 0 0 0 120266 1 0 0 0 0 121124 1 0 0 0 0 121267 1 0 0 0 0 121268 1 0 0 0 0 122269 1 0 0 0 0 122270 1 0 0 0 0 122271 1 0 0 0 0 123125 1 0 0 0 0 123272 1 0 0 0 0 123273 1 0 0 0 0 124274 1 0 0 0 0 124275 1 0 0 0 0 124276 1 0 0 0 0 125277 1 0 0 0 0 125278 1 0 0 0 0 125279 1 0 0 0 0 M END > M2MDB001643 > M2MDB > [H]OC(=O)[C@]1(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC([H])([H])[C@@]3([H])O[C@]([H])(OP(=O)(O[H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]3([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]2([H])OP(=O)(O[H])O[H])O[C@]([H])([C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]2(O[C@]([H])([C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])C2([H])[H])C(=O)O[H])C1([H])[H] > InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1 > XAOLJGCZESYRFT-VHSKNIDJSA-N > C84H154N2O37P2 > 1846.0603 > 1844.970566976 > 33 > 195.5506034310967 > 0 > 20 > 0 > 0 > (2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}oxane-2-carboxylic acid > 9.827866265000006 > 1 > 4 > -6 > 1.2876167825594123 > 0.6013986327127805 > 626.2900000000001 > 444.01669999999984 > 72 > 0 > (kdo)2-lipid iva > 0 > ECMDB21235 > KDO(2)-lipid IV(A) $$$$