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1.59915722317266 0.813976124627617 1.16736679809524 1.01310904753111 2.45072632929478 0.830734559741239 1.0841841909556 1.6029205837991 1.26010334461475 1.2105753004134 0.791949350065864 0.581556973586239 0.888293154764657 0.868400204554228 1.28461139794419 0.472294434358077 0.56584726290958 0.975142924887109 oleoyl ethanolamide 1 1 1 0 1 1 1 0 1 1 0 1 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 0 0 1 1 0 1 1 0 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 0 1 1 0 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 0 1 1 1 1 1 1 1 0 0 1 1 0 1 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 0 1 0 1 0 1 1 1 0 1 0 0 0 0 0 1 1 0 1 0 1 1 1 1 1 0 0 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 0 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 0 0 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 0 1 0 1 1 0 1 0 1 0 0 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 1 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 0 0 0 1 0 1 1 0 1 1 1 0 1 1 0 1 0 1 1 1 1 0 1 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 0 0 1 1 1 0 1 0 0 1 1 0 0 0 1 0 1 0 0 1 1 0 0 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 1 0 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 0 0 1 1 0 1 0 1 0 1 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 0 1 0 0 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 0 1 0 0 1 0 1 0 0 1 1 0 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 0 1 1 0 1 0 0 1 1 0 1 0 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 0 1 0 0 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 1 1 0 1 0 1 1 1 0 0 0 1 1 1 0 1 1 1 1 0 1 0 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 1 1 1 1 1 0 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 0 1 0 1 0 1 0 1 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 1 0 1 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 1 1 1 1 1 0 1 1 0 1 1 1 0 1 0 0 1 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 0 0 1 1 0 1 0 1 1 1 1 0 0 0 1 0 0 1 0 N-palmitoyl-sphingosine (d18:1/16:0) 0.734136914706747 0.963589287891831 0.999257478638928 0.606221337526606 1.44698045017729 0.923945844925803 1.37247911369011 0.438402364294653 1.07101681710697 1.60652142615533 1.52606929069975 0.926978342296574 0.876338951217751 1.19137897673395 0.980418866562271 0.942638994862188 0.657089871839596 0.830558140984819 0.503820435628749 1.40026397356479 0.77494864207368 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0.645336710218191 0.846840506107344 2.25253838693258 0.524196096502643 0.798433941026055 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 0.424834900854136 0.764131637076324 1.20933653052223 0.601032893016069 0.883569593127775 0.906056393327348 0.385352314599479 0.61910103110106 0.793079859968458 1.27724267870905 0.991453421079603 0.720776119766522 0.785225697869637 1.02919631008908 0.819061591516638 1.60855491599198 0.841099478775321 2.02599823232075 0.79778826671563 1.94925493573107 0.49866498184635 1.71167886902053 0.736945283485688 1.10313647246742 0.886910066025131 1.08734553747161 0.294748824018507 1.17842916392972 0.724664241664345 1.63897102400244 1.01740651480786 0.238641244845396 1.1085264044389 1.89543485128344 0.860609543013771 3.40655232845517 0.366209443795886 0.988986253905545 0.498732097857681 0.722300231292765 0.6271184862766 0.906198982033383 1.37823399234117 1.87030546161395 1.3367367553583 1.31916119803587 2.12668797245831 0.652993227213836 0.937279519900034 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NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.835280791373078 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 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NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA sphingomyelin (d18:2/14:0, d18:1/14:1)* 1.29613470565552 0.741308943012318 1.10703296743525 0.593621779788146 0.671447403390333 1.85876523542394 1.20770292107084 1.11081862035048 0.923638876577144 0.933785769091585 1.51456883466792 1.75985306212785 0.815985547951435 1 1.02556660621336 0.696104540881146 0.847536472623508 1.91906237527412 1.42091433508678 0.702767102114155 1.36421457970873 1.07243325010075 1.22606779140456 0.87565685911536 1.22335849433105 1.77239621671649 1.39497346878371 0.918315552187178 0.807761194854865 1.91610271585332 1.35020423407467 0.484841137563861 1.74989322883496 1.8663822133066 1.40462363132443 0.788673191753457 1.18170319906643 0.718433943677341 0.273781752753138 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1.15011823422363 0.334214119266476 0.634756180215878 0.638274135726917 0.866673679033886 1.19711644138722 0.94959908842366 0.706669613548836 0.519971605060504 0.53162124173378 0.615695121294943 0.687438684779962 0.357048466950719 0.811920436582353 0.728672674224273 0.414583618961464 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 1 1 1 1 0 1 0 1 1 1 0 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 0 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1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 0 0 0 1 0 1 1 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 0.565900921929001 0.549274564155768 3.54490755234816 0.457371633595134 0.910217743926642 1.3976705865844 0.217986571417453 0.783730580284558 1.55534993291987 2.14890430880299 1.37423327015905 2.08338262465104 2.84727296593669 2.60917544018178 1.12917686435907 2.78782630269743 0.356470477367203 4.64945012231183 0.632860084117622 2.35935480898644 0.448383113461222 1.35438903496109 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0.830855049607396 0.649590560088977 1.71240839429562 1.52502832300196 0.980791215026577 0.218939926117757 2.28746282450798 0.258209986276009 0.528838210629084 1.31729489734319 0.578795051994584 0.396086058483701 0.453272134619293 2.37457130698175 2.81561959129141 1.87976486294739 1.4572677861112 1.09273970364201 1.5513770877013 1.06614763703886 2.20345051742034 1.07645108406298 3.13106611899653 0.505723164915651 2.728101813505 1.5870067572392 1.89054664096595 1.75070718702281 0.67766455986463 0.725862300076817 0.861268880998591 0.330683712661994 2.34144324674648 1.43437451113313 1.47946445707229 1.70645639493739 1.0446302484585 4.77641370987567 1.32992462343228 7.63509802164436 1.2795908789547 5.53007653011548 0.801561779057899 1.89266379551193 0.876377350465399 1.74848595000552 2.38094919989069 0.548141041522801 0.592827162657187 0.707631325065365 0.235245788392635 3.69303257622598 3.03963130120982 2.52524390323062 2.4905130866631 0.598345151454235 0.998434394817162 0.793127247733371 1.11720159110922 0.554740303401523 0.964287576635702 2.36880808421585 3.00523976953448 0.426681496084604 0.517871464387371 0.376915494219912 0.921601657476861 0.41612983448314 0.331885950262654 0.559604871296542 0.31028378266356 0.5656515617667 0.580429942928239 1.48243088759273 0.156136524878465 0.824289369555795 0.560272091932294 0.515640314948363 0.891898266690898 1.0497114957834 0.59415296597859 0.868135980980796 1.8572167615106 0.742529111295024 0.330789545496478 1.42870970702848 0.797108541547238 1.21490097820936 2.28090901419604 0.147950200682571 0.448243403273313 0.830154779715049 0.866517926980982 0.582615525422409 0.24358942265168 1.00689042858132 2.20018400017879 1.21389446450606 1.05257947954939 2.45285835762088 2.91364074887096 2.65724101723328 0.885554868555338 1.09028212381405 2.77694737908611 1.01828008849094 2.31928032963922 0.206950418627785 0.341011181549326 0.445756073577462 0.91733157190238 0.467941993537266 0.421459377021244 1.86653282578088 0.517193173756077 1.27340953679227 0.314815462977461 1.28077619512521 0.995881257186394 0.52318790016239 0.336742170656236 1.46152878175641 0.336265913780645 0.564829900621199 0.212426698800966 0.460420493713366 0.169745751979678 7.07980542167328 0.184786090480412 0.902344586743868 0.545987444478646 0.395280474013684 1.70915070369866 1.11352139191692 0.674066482966938 0.886437029063509 1.07532752618112 0.622653422786258 0.869551529628644 0.167150756709172 0.497342311896596 1.03482801820105 0.607054531764217 0.808301472831484 0.292446613917545 1.03792942315234 0.560088836102174 0.798673944537659 4.23523402874075 0.493625252143798 0.198618043970738 3.0969540108134 0.646985023958504 0.335800394761651 0.661263386784653 0.911375472150983 2.02504134973162 0.792900593286104 0.277703215619591 0.337134909596662 0.669090197284714 0.760280197424533 1.35178479048112 0.715922726454827 1.51593724864972 1.91759750768306 2.91519973154738 0.342157525387805 0.348150945481675 1.8867376802493 0.699783345545405 11.4606353418279 3.81835515391227 1.34482218681207 2.39750546875507 0.27914782304341 5.48979174534167 1.0661810509634 2.48345660363456 0.929310337673551 0.34624844381016 1.62272525521527 0.331961012740969 1.24597173697659 0.929260436745354 0.415457159404938 1.15763496242127 0.421883996295091 0.76918963691456 0.900167722231957 0.788063629561023 0.539096601775304 0.89175929346446 10.7450857257959 0.934317558072832 0.91836739564712 1.44702077020665 1.01349825064749 0.660484183817902 1.64694686343015 2.24734453329678 0.176658593441466 0.869172978358514 1.05262799207356 0.325701542204388 0.621506638932842 1.38910598025406 0.355801090080582 0.730594245474349 0.158487229319603 0.788628006383633 3.03215754114483 0.537053619779443 1.09189780405954 0.507068440679269 1.93532430962686 0.73211818027767 0.593344811015276 1.16474881503335 0.679850802313065 0.430482889829023 0.893583702688721 0.19885294381217 0.200461543133028 0.495897686635407 0.474756096769378 0.479898574593884 0.518435838924445 0.646411543462759 diacylglycerol (14:0/18:1, 16:0/16:1) [2]* 1 0 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 1 1 1 1 1 0 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 0 0 0 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 0 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 0 1 0 1 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 1 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 1 0 1 1 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 0 0 0 1 0 1 0 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 0 1 1 1 1 0 1 1 0 1 0 0 1 1 0 1 0 1 1 1 1 1 0 1 1 1 1 0 1 0 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 0 0 1 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 1.08052642408188 0.775550931614346 1.26042639455635 0.275761961243606 0.866881510270966 1.4362367496175 0.505395979247758 0.598432102237268 0.819693285253494 0.477520945193539 1.00635525343569 0.996303245023362 0.622372579590355 0.885424619357081 1.16901810825255 1.78309322419346 1.00876851962976 1.25901637058831 1.3252890115805 1.44621654101861 0.792961021768582 1.41927747673935 1.43616760472218 1.06584272633358 1.86943402137992 1.29376540106388 0.709647286340633 0.923141032161966 0.593557784952494 0.996276447408306 0.711327996751593 0.604642413143758 1.59543521979334 1.65466085473452 0.54646614596932 1.94380717108918 0.849470920452663 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1.69381922763872 0.89384743136466 1.27219257532697 0.642676832298444 1.23740632099176 0.497488228085799 1.11464711410602 0.94481930853672 8.70431780697077 1.14118682320155 1.22111860567518 0.579341465330466 0.683221299591406 0.931665497174403 2.76839857651246 0.28228615046992 0.719216422005862 1.70336747837821 0.690861214433647 1.55755686460932 0.368015546214891 1.27666549104601 0.924237478613474 1.22132672039678 0.648413180014853 0.624671489248203 1.28576216072246 0.44089363239213 1.07202954252303 1.15170007005873 1.5691723357606 0.439325795929276 3.41338140912783 1.58319707566795 0.560784133988961 0.322933066170507 0.844737989445765 1.1973757439648 0.394405606686111 0.997464083300382 0.346141025460453 0.692053950533985 0.949879708574427 1.37684270788607 2.19584580095027 1.91383867285628 1.98581493498155 1.44849278689088 0.434005973713903 0.716118067390621 1.68531474673823 0.468149949063889 1.15368483903022 0.89970394847562 2.05070493950619 1.98490182461844 1.07725460921985 0.894726216801176 1.1557551829275 0.914637295360967 0.485391236786685 0.906907574258156 0.733048080520096 1.15352743273437 1.04367006163107 0.443038252549658 0.579627968493214 1.03497043783433 0.985390596303088 1.38611838508244 0.7815467557992 1.18290707791468 0.608937601660139 0.802905891731064 16.5765462501993 1.19089084172428 1.14874494474963 0.836261491091568 1.07690605701467 1.28702439110773 0.393699201421163 1.4815046270535 0.956913248760965 0.539193430421941 0.775388865400664 1.09225295957799 0.867859629365303 0.832191623272922 0.431199118430854 0.832844109772589 0.923008305281295 0.284487517634791 1 0.683650589189447 0.545898058837318 0.483286590535303 0.891710596482423 0.93544338883469 1.09812100022491 0.786862676944257 0.695020100186294 0.671476467342868 0.673182168244427 0.991910146987065 0.510399367338869 0.542939891354403 0.813099835917972 1.15481691458274 0.87875936411118 0.953833573374508 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 1 0 1 0 0 0 1 1 1 1 0 1 0 1 0 1 0 1 1 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 0 0 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 1 0 0 0 1 1 1 1 1 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 0 1 1 0 0 0 1 1 1 0 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 1 1 0 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 0 0 0 1 1 1 1 1 0 1 0 1 1 1 1 0 0 1 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 1 0 1 1 0 1 1 1 1 0 0 0 1 0 0 1 1 1 1 0 1 1 0 0 0 1 1 0 0 0 1 0 1 1 0 1 0 1 0 1 0 1 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 0 0 0 1 1 1 1 0 0 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 0 1 1 0 1 0 1 1 1 0 1 0 0 0 1 1 1 1 1 1 0 1 0 1 0 1 0 0 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 0 0 1 1 1 0 1 0 0 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 0 0 1 1 1 0 0 1 0 1 0 1 0 0 0 0 1 1 1 0 0 0 1 0 1 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 0 1 0 0 1 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 1 1 0 1 0 0 1 1 1 0 1 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 0 1 0 1 1 0 0 1 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 0 1 1 1 1 0 0 1 1 1 1 1 1 0 1 0 1 1 1 0 0 1 0 1 1 1 0 1 1 0 1 0 0 1 0 0 0 1 0 1 1 1 1 1 1 0 0 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 1 0 1 1 1 1 0 1 0 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 1 0 1 0 0 1 1 1 1 0 1 0 1 1 1 0 1 1 1 0 0 0 1 1 0 0 1 0 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 1 1 0 1 1 1 1 1 0 1 0 0 1 1 1 0 1 1 1 0 1 0 1 1 1 0 0 1 1 1 0 0 1 0 1 1 0 1 1 0 1 1 1 0 1 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 0 0 0 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 1 0 0 1 1 1 1 0 1 0 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 0 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 1 0 1 1 1 0 0 0 1 1 0 0 1 1 0 1 1 0 1 0 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 1 0 1 0 0 1 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 0 0 1 1 1 0 1 0 1 1 1 1 0 0 1 0 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 0 1 0 0 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 0 0 1 1 0 1 0 0 1 0 1 1 1 1 0 0 1 0 1 1 1 1 0 0 0 0 1 1 0 0 0 0 1 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 0 0 1 0 1 1 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 1 1 0 1 0 0 1 0 0 1 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 1 0 1 0 diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]* 0.919572410815886 0.420057570531089 5.38443939506525 0.405154513888889 0.590430555555556 0.878893626650261 0.490832175553666 0.517489830995212 2.28568347511261 2.28393061839488 4.13412481678624 3.90964311221423 2.22368576388889 2.31106202431983 1.24011623132067 1.91278385536877 0.861126282496336 5.47023449789333 0.688188258362123 1.57645505707073 0.22011087557645 1.31857813547954 0.521326853351848 0.37874147689127 2.617203125 2.22863266555857 2.03002237136465 0.782206151427295 1.19153150811399 3.16826452548461 0.521885629026213 0.427545903116079 2.53041006385371 4.99185328929383 1.02015104166667 0.562454844048638 0.754400716473013 0.563716476573785 0.593102406877244 0.447989315789238 0.481113990161894 1.42340104166667 0.314058431518422 0.448610628913835 1.39673545172019 3.24290573269126 1.92051584871548 0.496407830581915 0.252861037706392 1.6491857489831 1.11834150066824 0.786003064199593 0.483829928381668 0.917814860175546 0.523240262967764 0.552534625967811 1.33809230856262 0.385566708174766 0.942666515446016 0.368872656227218 0.412037442043566 3.19978540907443 0.734706577002765 1.22816257568356 0.524414956819863 0.632013888888889 0.505054852615593 0.853224418977634 0.884096757402022 1.16934496689441 0.777747726177689 4.10203965131528 1.1075 0.940045922487449 0.666196433400454 0.662209364307961 0.240052641836429 2.85934915153483 2.01769097222222 4.29123924019445 2.08965235980335 0.743560312978781 0.52807608018536 2.28631989081935 1.40601945003354 0.979737503326788 1.32491581833185 0.336023957515716 0.310201388888889 2.32500967942526 0.158009333867016 1.74487155009652 2.60429513888889 0.262389554719622 0.430594001582439 0.851836348724752 0.419661438696638 1.07751446424439 0.356932291666667 0.546034722222222 3.90124077800134 0.228215458941528 1.09203278248018 0.6523687513297 7.83548090277778 0.273350246405972 1.51378390442321 0.89865398680182 2.14212759392116 0.425804535522603 0.538961925282997 1.66644942129605 6.66827399092183 0.175735547857108 0.219369018799595 2.85364560130677 1.24180582915953 3.25118245048587 0.926710129567418 0.549805448706961 0.441350504698921 0.41851093294134 2.6944568191943 0.872106618794401 0.479380201053256 1.32947916666667 1.8684959984241 1.30002385029617 0.63350426562333 14.0007152684722 1.39754513888889 1.17220133283737 0.778351704517515 1.42969046161024 4.36897903756808 3.14027644125623 0.486413194444444 2.19362916630216 0.528251736111111 1.12958130917782 0.431053009036638 0.232015280086315 0.79301531930517 0.998431789006416 0.142472874922132 0.302730658396562 1.278890625 0.671686255522908 1.43282436932233 1.94507260957047 0.919286703445927 3.77367452871278 1.56430977167352 1.25704178864889 0.396637291335641 0.709446431563856 0.836405974959028 0.494889025162803 0.361972559997667 0.474889864726306 0.703434472177605 0.786960648231065 0.373498235791561 1.89018923611111 0.569347242877555 0.555784248626769 0.359778234625142 0.186423838718117 1.05770121716492 0.393559473047795 0.673175752815754 2.91144791666667 1.70661943047866 0.515304961903904 2.60621960780295 0.66346875 1.37683161384347 0.326526041666667 1.40260718301194 0.5330115001199 1.96887775452309 0.510373263888889 1.15988005201177 0.158330681701048 1.76981844671731 3.51505515698527 15.3993562826233 4.34836979166667 0.867603038991139 0.697680755423895 0.45556272903795 0.784472334745079 0.45290715182423 0.743219373062163 0.559529498307965 0.432943732482053 0.895260117241916 0.268423150612712 0.430553639561326 0.445129477542347 1.7352644281271 0.428362475899209 0.561782986111111 0.498537075277853 0.670793947523827 0.891738616997956 0.592690412043814 1.18749973211262 0.767811188872096 0.23857638585134 1.76203250975875 2.30466130114017 0.856623129070441 0.372145918992214 1.10424447686128 3.786540706264 2.01710715112243 0.806646446029968 0.729947916666667 0.687470530420988 0.968420297504061 6.81265716844546 1.27885614883642 1.83370518949336 2.66692958907916 0.419990059285601 4.27132113399844 1.62688940022943 0.357067564707337 0.290708333333333 0.373407109322602 4.573890625 1.52502496710343 1.429262368184 2.78079710307306 1.8547264926847 0.540980144467866 0.809640451404077 0.762656015523858 1.87142985643164 0.531790482812152 1.95697943053573 3.3277981168808 1.67407122213139 0.356919606553668 1.59348482197533 0.863007308316558 1.4055700516911 0.195805266380894 1.15402996515407 0.338786284413332 0.712439409790206 5.48574706565143 0.762288150128609 0.549339159596709 0.310645512136751 0.114444187302322 0.40121541860684 1.31021588021494 1.49924652777778 0.195334902081806 0.84419068447966 0.765993055555556 1.94745086930957 1.26493576388889 1.2505248884612 0.25983085484772 6.54344313654815 0.778658828564194 0.471280352995101 0.438421373560774 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0.652203004623936 1.36029217373507 0.962767909727972 0.828047314065445 0.998808680364218 1.00133103691619 1.15042788962207 1.00393572858531 1.19540583337428 1.10436937660969 1.09843628635079 1.0027517037418 1.0465657195046 0.678257979304976 1.14101084791771 1.02529511680907 1.10891040611579 0.937703252899955 1.13918294272864 1.32417268177078 0.569345505979169 1.02807460408156 1.36063108089053 1.45709104297554 1.17338918450224 0.817607590582783 0.851091967287767 0.905571373463877 0.850064443439146 1.06604039290806 1.36685718130539 1.1255653215393 0.836750734528124 1.04503705472501 1.12406723577721 0.59969620790109 1.08244377186146 0.801095572642824 0.89305512464442 0.730759198368816 0.94028831438911 0.718111189759421 1.25505124542285 metabolite_name CHEM_ID LIB_ID COMP_ID CHRO_LIB_ENTRY_ID SUPER_PATHWAY SUB_PATHWAY PATHWAY_SORTORDER INCHIKEY SMILES CAS CHEMSPIDER HMDB KEGG PUBCHEM PLATFORM miss_pct imputation spermidine 50 402 485 157851 Amino Acid Polyamine Metabolism 545 ATHGHQPFGPMSJY-UHFFFAOYSA-N NCCCCNCCCN 124-20-9 1071 HMDB0001257 C00315 1102 Pos Late 0.690140845070423 Present/Absent biliverdin 250 402 2137 158009 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4412 QBUVFDKTZJNUPP-YBRAVLHJSA-N CC1=C(/C=C(N2)/C(C=C)=C(C)C2=O)NC(/C=C3C(CCC(O)=O)=C(C)C(/C=C(N4)C(C)=C(C=C)C4=O)=N)=C1CCC(O)=O 55482-27-4,55482-27-4 10628548 HMDB0001008 C00500 5280353 Pos Late 0 KNN cholesterol 266 402 63 164177 Lipid Sterol 3193 HVYWMOMLDIMFJA-LBHVWCRMSA-N CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CC[C@H](O)C3)C)C4CC1 57-88-5 4937803 HMDB0000067 C00187 5997,6432564,11025495 Pos Late 0.000880281690140845 KNN sphingosine 297 402 17747 158164 Lipid Sphingosines 3160 WWUZIQQURGPMPG-CCEZHUSRSA-N CCCCCCCCCCCCC/C=C/C(C(CO)N)O 123-78-4 4510275 HMDB0000252 C00319 5280335 Pos Late 0.00264084507042254 KNN deoxycholate 302 402 1114 161304 Lipid Secondary Bile Acid Metabolism 3480 KXGVEGMKQFWNSR-OHAQSFBXSA-N CC12[C@@]([C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)([H])CC[C@]1([H])[C@]([H])(C)CCC(O)=O 83-44-3 389318 HMDB0000626 C04483 222528,440355 Pos Late 0.10387323943662 KNN sphinganine 313 402 17769 158166 Lipid Sphingolipid Synthesis 3001 OTKJDMGTUTTYMP-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(C(CO)N)O 3102-56-5 3014 HMDB0000269 C00836 3126 Pos Late 0.129401408450704 KNN retinol (vitamin A) 498 402 1806 165222 Cofactors and Vitamins Vitamin A Metabolism 4430 FPIPGXGPPPQFEQ-OVSJKPMPSA-N C/C(/C=C/C(C(C)(CCC1)C)=C1C)=CC=CC(C)=CCO 68-26-8 393012 HMDB0000305 C00473 445354 Pos Late 0 KNN N-stearoyl-sphinganine (d18:0/18:0)* 922 402 1759 211070 Lipid Dihydroceramides 3013 KZTJQXAANJHSCE-OIDHKYIRSA-N CCCCCCCCCCCCCCCCCC(N[C@H]([C@H](O)CCCCCCCCCCCCCCC)CO)=O 2304-80-5 4446686 HMDB0011761 NA 5283573 Pos Late 0.197183098591549 KNN bilirubin (Z,Z) 1090 402 43807 159596 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4409 BPYKTIZUTYGOLE-KDUUSRDASA-N CC(C(N)=O)=C(C=C)C1=C/C2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(O)=O)C(C)=C(/C=C4NC(C(C=C)=C/4C)=O)N3)N2 635-65-4 4444055 HMDB0000054 C00486 5280352 Pos Late 0 KNN alpha-tocopherol 1105 402 1561 164189 Cofactors and Vitamins Tocopherol Metabolism 4361 GVJHHUAWPYXKBD-IEOSBIPESA-N CC1=C2C(O[C@@](CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C)(C)CC2)=C(C)C(C)=C1O 10191-41-0,59-02-9 14265 HMDB0001893 C02477 86472 Pos Late 0.000880281690140845 KNN oleoyl ethanolamide 1137 402 38102 158973 Lipid Endocannabinoid 2160 BOWVQLFMWHZBEF-KTKRTIGZSA-N O=C(NCCO)CCCCCCC/C=CCCCCCCCC 111-58-0,11-58-0 4446574 HMDB0002088 NA 5283454 Pos Late 0.321302816901408 Present/Absent N-palmitoyl-sphingosine (d18:1/16:0) 1518 402 44877 164219 Lipid Ceramides 3022 YDNKGFDKKRUKPY-TURZORIXSA-N OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCC)=O 24696-26-2 4446677 HMDB0004949 NA 5283564 Pos Late 0 KNN 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 1526 402 19263 164198 Lipid Phosphatidylethanolamine (PE) 2409 FHQVHHIBKUMWTI-OTMQOFQLSA-N CCCCCCCCC=C/CCCCCCCC(O[C@](COC(CCCCCCCCCCCCCCC)=O)(COP([O-])(OCC[N+]([H])([H])[H])=O)[H])=O 26662-94-2 4446615 HMDB0005320 NA 5283496 Pos Late 0.0334507042253521 KNN 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 1528 402 52450 210818 Lipid Phosphatidylinositol (PI) 2537 BSNJSZUDOMPYIR-DMDPBSJXSA-N O=C(CCCCCCC/C=CC/C=CCCCCC)O[C@@H](COP(OC1C(O)C(O)C(O)C(O)C1O)(O)=O)COC(CCCCCCCCCCCCCCC)=O NA 21403024 HMDB0009784 NA 46891795 Pos Late 0.00176056338028169 KNN 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1537 402 42446 165129 Lipid Phosphatidylcholine (PC) 2287 JLPULHDHAOZNQI-ZTIMHPMXSA-N O=P([O-])(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O)OCC[N+](C)(C)C 40811-94-7 4450224 HMDB0007973 NA 5287971 Pos Late 0 KNN stearoyl sphingomyelin (d18:1/18:0) 1538 402 19503 164530 Lipid Sphingomyelins 3106 LKQLRGMMMAHREN-YJFXYUILSA-N CCCCCCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O 85187-10-6,85187-10-6 4956085 HMDB0001348 C00550 6453725 Pos Late 0 KNN 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1539 402 52461 165127 Lipid Phosphatidylcholine (PC) 2284 WTJKGGKOPKCXLL-PFDVCBLKSA-N O=C(CCCCCCC/C=CCCCCCCCC)O[C@@H](COC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O 26853-31-6,26853-31-6 4940699 HMDB0007972 C13875 6436017 Pos Late 0 KNN N-stearoyl-sphingosine (d18:1/18:0)* 1547 402 54979 208064 Lipid Ceramides 3026 VODZWWMEJITOND-NXCSZAMKSA-N OC[C@H](NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC 104404-17-3 4446678 HMDB0004950 NA 5283565 Pos Late 0 KNN metoprolol 2028 402 18037 158183 Xenobiotics Drug - Cardiovascular 5643 IUBSYMUCCVWXPE-UHFFFAOYSA-N COCCC1=CC=C(OCC(O)CNC(C)C)C=C1 56392-17-7 4027 HMDB0001932 D02358 4171 Pos Late 0.897887323943662 Exclude 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 100000616 402 52449 208070 Lipid Phosphatidylinositol (PI) 2557 KRTOMQDUKGRFDJ-YKOKTLGVSA-N CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(O[C@](C(O)(C(O)(C(O)([C@](O)1[H])[H])[H])[H])([C@]1(O)[H])[H])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)=O 383907-33-3 21403055 HMDB0009815 NA NA Pos Late 0 KNN sphingosine 1-phosphate 100000626 402 34445 158668 Lipid Sphingosines 3162 DUYSYHSSBDVJSM-KRWOKUGFSA-N OP([O-])(OC[C@@]([H])([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[NH3+])=O 26993-30-6 4446673 HMDB0000277 C06124 5283560 Pos Late 0 KNN 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 100000639 402 19265 180966 Lipid Phosphatidylserine (PS) 2506 AJFWREUFUPEYII-PAHWMLEVSA-N CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)OC(CCCCCCC/C=CCCCCCCCC)=O)=O NA 7826037 HMDB0010163 NA 9547087 Pos Late 0.273767605633803 Present/Absent 1,2-dipalmitoyl-GPC (16:0/16:0) 100000657 402 19130 164201 Lipid Phosphatidylcholine (PC) 2279 KILNVBDSWZSGLL-KXQOOQHDSA-N CCCCCCCCCCCCCCCC(OC[C@]([H])(COP([O-])(OCC[N+](C)(C)C)=O)OC(CCCCCCCCCCCCCCC)=O)=O 63-89-8 398235 HMDB0000564 D03585 452110 Pos Late 0 KNN 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 100000672 402 19258 164196 Lipid Phosphatidylcholine (PC) 2263 RFVFQQWKPSOBED-PSXMRANNSA-N CCCCCCCCCCCCCCCC(O[C@](COC(CCCCCCCCCCCCC)=O)(COP([O-])(OCC[N+](C)(C)C)=O)[H])=O 69525-80-0 114798 HMDB0007869 NA 129657 Pos Late 0 KNN dextromethorphan 100000740 402 38301 159035 Xenobiotics Drug - Respiratory 5949 MKXZASYAUGDDCJ-CGTJXYLNSA-N [H][C@]1([C@H]2C3)[C@@](CCCC1)(CCN2C)C4=C3C=CC(OC)=C4 18046-32-7 13109865 HMDB0001920 D03744,DG01078,C06947 5360696 Pos Late 0.963908450704225 Exclude palmitoylcarnitine (C16) 100000776 402 44681 159624 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1865 XOMRRQXKHMYMOC-UHFFFAOYSA-N [O-]C(CC(OC(CCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O 6865-14-1 448 HMDB0000222 C02990 461 Pos Late 0 KNN beta-sitosterol 100001033 402 27414 164190 Lipid Sterol 3222 KZJWDPNRJALLNS-XGEQACPASA-N C[C@@]1([C@]([C@@H](CC[C@@H]([C@H](C)C)CC)C)([H])CC2)[C@@]2([H])[C@@](CC=C3[C@@]4(CC[C@H](O)C3)C)([H])[C@@]4([H])CC1 83-46-5 192962 HMDB0000852 C01753 222284 Pos Late 0.240316901408451 Present/Absent delta-tocopherol 100001216 402 33418 164181 Cofactors and Vitamins Tocopherol Metabolism 4365 GZIFEOYASATJEH-VHFRWLAGSA-N OC1=CC(C)=C2O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CCC2=C1 119-13-1 83144 HMDB0002902 C14151 92094 Pos Late 0.651408450704225 Present/Absent octanoylcarnitine (C8) 100001247 402 33936 158581 Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 1853 CXTATJFJDMJMIY-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCCCCC)=O)=O 3671-77-0 110274 HMDB0000791 C02838 123701,11953814 Pos Late 0 KNN decanoylcarnitine (C10) 100001251 402 33941 158585 Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 1861 LZOSYCMHQXPBFU-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCC)=O)=O 1492-27-9 8420677 HMDB0000651 NA 10245190 Pos Late 0 KNN 1-palmitoyl-GPC (16:0) 100001263 402 33955 158599 Lipid Lysophospholipid 2601 ASWBNKHCZGQVJV-UHFFFAOYSA-N O=P(OCC[N+](C)(C)C)([O-])OCC(O)COC(CCCCCCCCCCCCCCC)=O 17364-16-8 78064 HMDB0010382 C04102 86554 Pos Late 0 KNN piperine 100001267 402 33935 158580 Xenobiotics Food Component/Plant 5007 MXXWOMGUGJBKIW-YPCIICBESA-N O=C(N1CCCCC1)/C=C/C=C/C2=CC(OCO3)=C3C=C2 94-62-2 553590 HMDB0029377 C03882 638024 Pos Late 0.00880281690140845 KNN campesterol 100001269 402 33997 164179 Lipid Sterol 3225 SGNBVLSWZMBQTH-PODYLUTMSA-N C[C@H](CC[C@@H](C)C(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C 474-62-4 151215 HMDB0002869 C01789 173183 Pos Late 0.351232394366197 Present/Absent myristoylcarnitine (C14) 100001270 402 33952 158596 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1863 PSHXNVGSVNEJBD-UHFFFAOYSA-N O=C(CCCCCCCCCCCCC)OC(CC([O-])=O)C[N+](C)(C)C 18822-89-4 4932274 HMDB0005066 NA 6426854 Pos Late 0 KNN 1-stearoyl-GPC (18:0) 100001271 402 33961 158603 Lipid Lysophospholipid 2612 IHNKQIMGVNPMTC-RUZDIDTESA-N O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O 19420-57-6 435389 HMDB0010384 NA 497300 Pos Late 0 KNN 1-oleoyl-GPC (18:1) 100001272 402 48258 160285 Lipid Lysophospholipid 2614 YAMUFBLWGFFICM-PTGWMXDISA-N O[C@H](COC(CCCCCCC/C=CCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O 19420-56-5 17240641 HMDB0002815 C03916 16081932 Pos Late 0 KNN heme 100001386 402 41754 159409 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4408 GGIDWJQWCUJYRY-UHFFFAOYSA-K CC1=C(CCC(O)=O)C(/C=C(C(CCC([O-])=O)=C/2C)[N-]C2=C/C3=N/C(C(C=C)=C3C)=C)=N/C1=CC(N([Fe+2])C4=C5C)=C5C=C 14875-96-8 NA HMDB0003178 C00032 26945 Pos Late 0.381161971830986 Present/Absent stearoylcarnitine (C18) 100001391 402 34409 158657 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1867 FNPHNLNTJNMAEE-HSZRJFAPSA-N [O-]C(C[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O 18822-91-8 21233653 HMDB0000848 NA 3006797 Pos Late 0 KNN laurylcarnitine (C12) 100001392 402 34534 158670 Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 1862 FUJLYHJROOYKRA-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCC)=O)=O 25518-54-1 8602997 HMDB000225 NA 168381 Pos Late 0 KNN 1-linoleoyl-GPC (18:2) 100001395 402 34419 158662 Lipid Lysophospholipid 2617 SPJFYYJXNPEZDW-UTJQPWESSA-N O=P(OCC(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)([O-])OCC[N+](C)(C)C NA 10160888 HMDB0010386 C04100 11988421 Pos Late 0 KNN 1-stearoyl-GPE (18:0) 100001461 402 42398 159466 Lipid Lysophospholipid 2670 BBYWOYAFBUOUFP-JOCHJYFZSA-N O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCCCC)=O 69747-55-3 7826018 HMDB0011130 NA 9547068 Pos Late 0 KNN oleoylcarnitine (C18:1) 100001501 402 35160 158710 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1887 IPOLTUVFXFHAHI-WHIOSMTNSA-N [O-]C(C[C@@H](OC(CCCCCCC/C=CCCCCCCCC)=O)C[N+](C)(C)C)=O 38677-66-6 21403150 HMDB0005065 NA 6441392 Pos Late 0 KNN 1-palmitoleoyl-GPC (16:1)* 100001511 402 33230 158553 Lipid Lysophospholipid 2603 LFUDDCMNKWEORN-KHPPLWFESA-N O=P(OCC[N+](C)(C)C)([O-])OCC(O)COC(CCCCCCC/C=CCCCCCC)=O NA 21403152 HMDB0010383 NA 24779461 Pos Late 0 KNN nifedipine 100001514 402 34598 158674 Xenobiotics Drug - Cardiovascular 5650 HYIMSNHJOBLJNT-UHFFFAOYSA-N CC1=C(C(OC)=O)C(C(C(OC)=O)=C(C)N1)C2=C([N+]([O-])=O)C=CC=C2 21829-25-4 4330 NA C07266,D00437 4485 Pos Late 0.995598591549296 Exclude 1-arachidonoyl-GPC (20:4n6)* 100001551 402 33228 158552 Lipid Lysophospholipid 2636 LAXQYRRMGGEGOH-JXRLJXCWSA-N C[N+](C)(C)CCOP(OC[C@@](O)([H])COC(CCCC=C/CC=C/C/C=CC/C=CCCCCC)=O)([O-])=O NA 21403155 HMDB0010395 C05208 24779476 Pos Late 0 KNN 1-palmitoyl-GPE (16:0) 100001567 402 35631 158748 Lipid Lysophospholipid 2663 YVYMBNSKXOXSKW-HXUWFJFHSA-N O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O 53862-35-4 7826019 HMDB0011503 NA 9547069 Pos Late 0 KNN 1-oleoyl-GPE (18:1) 100001569 402 35628 158745 Lipid Lysophospholipid 2672 PYVRVRFVLRNJLY-MZMPXXGTSA-N O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCC=C/CCCCCCCC)=O 89576-29-4 7826021 HMDB0011506 NA 9547071 Pos Late 0 KNN 1-linoleoyl-GPE (18:2)* 100001570 402 36600 158788 Lipid Lysophospholipid 2674 DBHKHNGBVGWQJE-HZJYTTRNSA-N O=P(OCC(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)(O)OCCN NA 21403170 HMDB0011507 NA 52925130 Pos Late 0 KNN 1-arachidonoyl-GPE (20:4n6)* 100001571 402 35186 158719 Lipid Lysophospholipid 2687 ROPRRXYVXLDXQO-XSQXPFHXSA-N NCCOP(OC[C@@](O)([H])COC(CCCC=C/CC=C/C/C=CC/C=CCCCCC)=O)(O)=O NA 21403171 HMDB0011517 NA 42607465 Pos Late 0 KNN 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 100001856 402 42448 164202 Lipid Phosphatidylethanolamine (PE) 2426 JQKOHRZNEOQNJE-AYBNWLFXSA-N O=C(CCCCCCC/C=C/CCCCCCCC)O[C@@H](COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCCCC)=O NA NA HMDB0008993 NA 9546742 Pos Late 0.000880281690140845 KNN 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 100001869 402 42450 164205 Lipid Phosphatidylcholine (PC) 2334 PSVRFUPOQYJOOZ-QNPWAGBNSA-N C[N+](C)(CCOP([O-])(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)=O)C 35418-59-8 17347139 HMDB0008048 NA 16219824 Pos Late 0 KNN 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 100001870 402 42449 164197 Lipid Phosphatidylethanolamine (PE) 2411 HBZNVZIRJWODIB-NHCUFCNUSA-N O=C(CCCCCCC/C=CC/C=CCCCCC)O[C@@H](COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCC)=O NA 7825697 HMDB0005322 NA 9546747 Pos Late 0.00264084507042254 KNN sphinganine-1-phosphate 100001876 402 52605 165336 Lipid Sphingolipid Synthesis 3002 YHEDRJPUIRMZMP-UHFFFAOYSA-N OP(O)(OCC(C(CCCCCCCCCCCCCCC)O)N)=O 19794-97-9 505 HMDB0001383 NA 520 Pos Late 0.0448943661971831 KNN glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 100001878 402 57369 210896 Lipid Hexosylceramides (HCER) 3064 WBOZIXHPUPAOIA-YEWIENRVSA-N OC(C([C@H]([C@H]1CO)O)O)[C@@H](O1)OC[C@@]([H])([C@](O)(/C=C/CCCCCCCCCCCCC)[H])NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O NA NA HMDB0004975,HMDB0010712 NA 20057357,53480656 Pos Late 0.128521126760563 KNN glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 100001882 402 52234 164199 Lipid Hexosylceramides (HCER) 3059 YMYQEDCYNANIPI-OQRGLTFYSA-N OC1C(CO)OC(OC[C@H](NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC)C(O)C1O NA NA NA NA NA Pos Late 0.0096830985915493 KNN carbamazepine 100001933 402 37033 158830 Xenobiotics Drug - Neurological 5824 FFGPTBGBLSHEPO-UHFFFAOYSA-N O=C(N1C2=C(C=CC3=CC=CC=C13)C=CC=C2)N 298-46-4 2457 HMDB0014704 C06868,D00252 2554 Pos Late 0.998239436619718 Exclude bilirubin (E,E)* 100001950 402 32586 158528 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4410 BPYKTIZUTYGOLE-VVCLLGATSA-N CC(C(N/1)=O)=C(C=C)C1=C/C2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(O)=O)C(C)=C(/C=C4NC(C(C=C)=CC)=O)N3)N2 NA 4474753 HMDB0240584 NA 129320511 Pos Late 0.00352112676056338 KNN bilirubin (E,Z or Z,E)* 100001951 402 47886 160233 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4411 BPYKTIZUTYGOLE-BMNRKXRESA-N CC(C(N/1)=O)=C(C=C)C1=C/C2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(O)=O)C(C)=C(/C=C4NC(C(C=C)=C/4C)=O)N3)N2 NA 4705847 HMDB0000488 C00486 5799469 Pos Late 0.00352112676056338 KNN beta-cryptoxanthin 100001977 402 57591 211608 Cofactors and Vitamins Vitamin A Metabolism 4436 DMASLKHVQRHNES-QQGJMDNJSA-N CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CC(O)C1 472-70-8 4904571 HMDB0033844 C08591 5281235 Pos Late 0.0132042253521127 KNN sphingomyelin (d18:1/18:1, d18:2/18:0) 100002106 402 37529 164200 Lipid Sphingomyelins 3120 NBEADXWAAWCCDG-QDDWGVBQSA-N O=C(CCCCCCC/C=CCCCCCCCC)N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H] 108392-10-5 4947837 HMDB0012101 NA 6443882 Pos Late 0.0255281690140845 KNN palmitoyl sphingomyelin (d18:1/16:0) 100002107 402 37506 164195 Lipid Sphingomyelins 3104 RWKUXQNLWDTSLO-GWQJGLRPSA-N CCCCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O 6254-89-3 8115562 HMDB0010169 NA 9939941 Pos Late 0 KNN stearoyl ethanolamide 100002254 402 38625 159084 Lipid Endocannabinoid 2164 OTGQIQQTPXJQRG-UHFFFAOYSA-N OCCNC(CCCCCCCCCCCCCCCCC)=O 111-57-9 25958 HMDB0013078 NA 27902 Pos Late 0 KNN cis-4-decenoylcarnitine (C10:1) 100002259 402 38178 159020 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1881 OQWOHRPOYAVIOK-KTKRTIGZSA-N O=C([O-])CC(OC(CC/C=CCCCCC)=O)C[N+](C)(C)C 98930-66-6 28639171 HMDB0013205 NA 57357170 Pos Late 0 KNN L-urobilin 100002568 402 40173 159259 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4415 TYOWQSLRVAUSMI-WKULSOCRSA-N OC(CCC1=C(C(CC(C(C2C)CC)NC2=O)=N/C1=C/C(NC(CC(C(C3CC)C)NC3=O)=C4C)=C4CCC(O)=O)C)=O 34217-90-8 4444369 HMDB0004159 C05793 5280818 Pos Late 0.463908450704225 Present/Absent diphenhydramine 100002732 402 38669 159108 Xenobiotics Drug - Respiratory 5938 ZZVUWRFHKOJYTH-UHFFFAOYSA-N CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 147-24-0 2989 HMDB0001927 C06960 3100 Pos Late 0.891725352112676 Exclude solanidine 100002773 402 39788 159190 Xenobiotics Food Component/Plant 5057 JVKYZPBMZPJNAJ-OQFNDJACSA-N O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])C[C@@]5([H])[C@]4([H])[C@H](C)[C@]6([H])N5C[C@@H](C)CC6 80-78-4 59150 HMDB0003236 C06543 65727 Pos Late 0.63556338028169 Present/Absent sertraline 100002804 402 39757 159176 Xenobiotics Drug - Psychoactive 5864 VGKDLMBJGBXTGI-SJCJKPOMSA-N ClC(C=[C@@](C=C1)[C@@H](C2=CC=CC=C32)CC[C@@H]3NC)=C1Cl 79559-97-0 61881 HMDB0005010 C07246 68617 Pos Late 0.990316901408451 Exclude venlafaxine 100002807 402 38623 159083 Xenobiotics Drug - Psychoactive 5865 PNVNVHUZROJLTJ-UHFFFAOYSA-N COC1=CC=C(C(C2(CCCCC2)O)CN(C)C)C=C1 93413-69-5 5454 HMDB0005016 C07187 5656 Pos Late 0.963028169014085 Exclude quetiapine 100002809 402 39787 159189 Xenobiotics Drug - Psychoactive 5892 URKOMYMAXPYINW-UHFFFAOYSA-N OCCOCCN1CCN(C2=NC3=CC=CC=C3SC4=CC=CC=C24)CC1 111974-69-7 4827 HMDB0005021 D08456,DG00899,C07397 5002 Pos Late 0.98943661971831 Exclude 1-lignoceroyl-GPC (24:0) 100002873 402 49617 161405 Lipid Lysophospholipid 2650 SKJMUADLQLZAGH-WJOKGBTCSA-N CCCCCCCCCCCCCCCCCCCCCCCC(OC[C@H](COP([O-])(OCC[N+](C)(C)C)=O)O)=O 325171-59-3 24766539 HMDB0010405 NA 24779481 Pos Late 0.0176056338028169 KNN 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 100002875 402 52474 165152 Lipid Lysoplasmalogen 2834 HTZINLFNXLXRBC-CQLBIITFSA-N CCCCCCCCCCCCCC/C=COC[C@H](COP([O-])(OCC[N+](C)(C)C)=O)O NA 9093054 HMDB0010407 NA 10917802 Pos Late 0 KNN oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 100002989 402 46798 165353 Lipid Diacylglycerol 2927 BLZVZPYMHLXLHG-RQOIEFAZSA-N CCCCCCCC/C=CCCCCCCCC(OCC(CO)OC(CCCCCCC/C=CC/C=CCCCCC)=O)=O 106292-55-1 23975985 HMDB0007219 NA 14275396 Pos Late 0.000880281690140845 KNN oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 100002990 402 46799 165354 Lipid Diacylglycerol 2928 GREDRAMJRDQWEJ-LTEAFHAISA-N CCCCCCCC/C=CCCCCCCCC(OCC(COC(CCCCCCC/C=CC/C=CCCCCC)=O)O)=O 104346-53-4 29788004 HMDB0007219 NA 71433693 Pos Late 0.000880281690140845 KNN 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 100003000 402 39270 163991 Lipid Lysoplasmalogen 2835 QYTPGOPLNFESQC-RLHAVTDZSA-N O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCCCCCCCCCC NA 10471193 HMDB0011152 NA NA Pos Late 0 KNN 1-(1-enyl-stearoyl)-GPE (P-18:0)* 100003001 402 39271 180976 Lipid Lysoplasmalogen 2839 KACDZDULGKPXHT-BIHRDVDLSA-N O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCCCCCCCCCCCC NA NA HMDB0240598 NA NA Pos Late 0 KNN doxycycline 100003009 402 39273 159125 Xenobiotics Drug - Antibiotic 5498 JBIWCJUYHHGXTC-VONWRGRHSA-N O[C@@]12C([C@H](N(C)C)C(O)=C(C(N)=O)C2=O)[C@@H](O)C(C(C3=O)=C1O)[C@@H](C)C4=C3C(O)=CC=C4 24390-14-5 NA HMDB0014399 D00307 54671203 Pos Late 0.990316901408451 Exclude linoleoylcarnitine (C18:2)* 100003151 402 46223 159669 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1892 MJLXQSQYKZWZCB-DQFWFXSYSA-N [O-]C(C[C@H](C[N+](C)(C)C)OC(CCCCCCC/C=CC/C=CCCCCC)=O)=O 36816-10-1 4952667 HMDB0006469 NA 6450015 Pos Late 0 KNN rosuvastatin 100003272 402 40421 159267 Xenobiotics Drug - Metabolic 5788 BPRHUIZQVSMCRT-VEUZHWNKSA-N O=S(N(C)C1=NC(C2=CC=C(F)C=C2)=C(/C=C/[C@H](C[C@H](CC(O)=O)O)O)C(C(C)C)=N1)(C)=O 147098-20-2 393589 HMDB0015230 D01915 446157 Pos Late 0.998239436619718 Exclude citalopram/escitalopram 100003444 402 40459 159280 Xenobiotics Drug - Psychoactive 5879 WSEQXVZVJXJVFP-FQEVSTJZSA-N FC1=CC=[C@]([C@]2(CCCN(C)C)OCC3=C2C=CC(C#N)=C3)C=C1 219861-08-2 129277 HMDB0005028 D07913 146570 Pos Late 0.92693661971831 Exclude norfluoxetine 100003769 402 37252 158892 Xenobiotics Drug - Psychoactive 5862 WIQRCHMSJFFONW-UHFFFAOYSA-N NCCC(OC1=CC=C(C(F)(F)F)C=C1)C2=CC=CC=C2 83891-03-6 4382 HMDB0060551 NA 4541 Pos Late 0.950704225352113 Exclude diltiazem 100004015 402 42981 159508 Xenobiotics Drug - Cardiovascular 5651 HSUGRBWQSSZJOP-RTWAWAEBSA-N O=C1N(CCN(C)C)C2=C(C=CC=C2)S[C@H]([C@H]1OC(C)=O)[C@]3=CC=C(OC)C=C3 33286-22-5 35850 HMDB0014487 D07845 39186 Pos Late 0.963908450704225 Exclude verapamil 100004028 402 42990 159514 Xenobiotics Drug - Cardiovascular 5652 SGTNSNPWRIOYBX-UHFFFAOYSA-N N#CC(CCCN(C)CCC1=CC=C(C(OC)=C1)OC)(C(C)C)C2=CC=C(OC)C(OC)=C2 152-11-4 2425 HMDB0013962 D02356,C07188,DG00329 2520 Pos Late 0.988556338028169 Exclude margaroylcarnitine (C17)* 100004054 402 57512 211213 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1866 DWSFAVOTORHAAL-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCCCCCCC)=O)=O 106182-29-0 35015987 HMDB0006210 NA 53477803 Pos Late 0.00440140845070423 KNN retinal 100004088 402 40807 159350 Cofactors and Vitamins Vitamin A Metabolism 4438 NCYCYZXNIZJOKI-OVSJKPMPSA-N O=C([H])/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C NA 553582 HMDB0001358 C00376 638015 Pos Late 0.33362676056338 Present/Absent hydroxypioglitazone (M-IV) 100004177 402 43580 159586 Xenobiotics Drug - Metabolic 5774 OXVFDZYQLGRLCD-UHFFFAOYSA-N O=C1N([H])C(SC1CC(C=C2)=CC=C2OCCC(C=C3)=NC=C3C(C)O)=O 146062-44-4 NA NA NA 4147757 Pos Late 0.997359154929577 Exclude clotrimazole 100004179 402 42960 212492 Xenobiotics Drug - Antibiotic 5514 VNFPBHJOKIVQEB-UHFFFAOYSA-N ClC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4 23593-75-1 2710 HMDB0001922 D00282,C06922 2812 Pos Late 0.999119718309859 Exclude 2-aminooctanoate 100004227 402 43343 159548 Lipid Fatty Acid, Amino 1756 AKVBCGQVQXPRLD-UHFFFAOYSA-N CCCCCCC(C(O)=O)N 644-90-6 62727 HMDB0000991 NA 69522 Pos Late 0.0352112676056338 KNN sphingomyelin (d18:1/14:0, d16:1/16:0)* 100004328 402 42463 164531 Lipid Sphingomyelins 3114 KYICBZWZQPCUMO-PSALXKTOSA-N CCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O NA 9608732 HMDB0012097 NA 11433862 Pos Late 0 KNN sphingomyelin (d18:2/16:0, d18:1/16:1)* 100004329 402 42459 161023 Lipid Sphingomyelins 3118 IWHLTJGDYLJQSH-FLPFCPAFSA-N CCCCC/C=C/CCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O NA NA HMDB0240638,HMDB0240613 NA NA Pos Late 0 KNN 1-linolenoyl-GPC (18:3)* 100005350 402 45951 159653 Lipid Lysophospholipid 2619 WKQNRCYKYCKESD-YHTMAJSVSA-N C[N+](CCOP(OCC(O)COC(CCCCCCC/C=C/C/C=C/C/C=C/CC)=O)([O-])=O)(C)C NA NA HMDB0010388 C04100 NA Pos Late 0 KNN 1-(1-enyl-oleoyl)-GPE (P-18:1)* 100005372 402 44621 163990 Lipid Lysoplasmalogen 2837 URGVIWXYPWWBQO-ZCJATDNESA-N O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCC/C=C/CCCCCCCC NA NA NA NA NA Pos Late 0.303697183098592 Present/Absent probenecid 100005735 402 47119 159914 Xenobiotics Drug - Metabolic 5807 DBABZHXKTCFAPX-UHFFFAOYSA-N O=S(N(CCC)CCC)(C1=CC=C(C(O)=O)C=C1)=O 57-66-9 4742 HMDB0015166 C07372 4911 Pos Late 0.998239436619718 Exclude sphingomyelin (d18:2/14:0, d18:1/14:1)* 100005985 402 47154 164532 Lipid Sphingomyelins 3115 SOWIKWJDPCEPOJ-IOBWIPHESA-N CCCC/C=C/CCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O NA NA HMDB0240637,HMDB0240612 NA NA Pos Late 0 KNN sphingomyelin (d18:1/24:1, d18:2/24:0)* 100005986 402 47153 164529 Lipid Sphingomyelins 3130 WKZHECFHXLTOLJ-QYKFWSDSSA-N O[C@H](/C=C/CCCCCCCCCCCCC)[C@H](CO[P](OCC[N+](C)(C)C)([O-])=O)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O 94359-13-4 24846874 HMDB0012107 NA 44260126 Pos Late 0 KNN octadecenedioylcarnitine (C18:1-DC)* 100005996 402 61865 218582 Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 1919 CYPBWZKNUDFJJE-PLNGDYQASA-N O=C(CCCCCCC/C=CCCCCCCCC(O)=O)OC(CC([O-])=O)C[N+](C)(C)C 251981-06-3 28639201 NA NA NA Pos Late 0.000880281690140845 KNN octadecanedioylcarnitine (C18-DC)* 100005998 402 61867 218585 Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 1918 ULCCGBCYWCYNIC-UHFFFAOYSA-N O=C(CCCCCCCCCCCCCCCCC(O)=O)OC(CC([O-])=O)C[N+](C)(C)C 123233-50-1 28639203 NA NA NA Pos Late 0 KNN myristoleoylcarnitine (C14:1)* 100006051 402 48182 160274 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1885 ABVVZYXTZLEOHP-OLHLWXQYSA-N O=C(CCCCCCC/C=CCCCC)O[C@H](CC([O-])=O)C[N+](C)(C)C 889848-55-9 34999520 HMDB0240588 NA 129691961 Pos Late 0 KNN sphingomyelin (d18:1/20:0, d16:1/22:0)* 100006290 402 48490 164042 Lipid Sphingomyelins 3122 AADLTHQNYQJHQV-SVLGDMRNSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA 23113477 HMDB0012102 NA 44260124 Pos Late 0 KNN sphingomyelin (d18:1/20:1, d18:2/20:0)* 100006292 402 48491 164534 Lipid Sphingomyelins 3123 MDRFMTLYKHBJTF-YECRPIIFSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C/CCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O 222403-67-0 NA HMDB0240610,HMDB0240632 NA NA Pos Late 0 KNN sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* 100006293 402 57481 211144 Lipid Sphingomyelins 3124 YVTVVJRJLRHYSJ-COUPUTHFSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C/C/C=C/CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA NA NA NA NA Pos Late 0 KNN behenoyl sphingomyelin (d18:1/22:0)* 100006294 402 48492 164533 Lipid Sphingomyelins 3107 FJJANLYCZUNFSE-TWKUQIQBSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA 24846873 HMDB0012103 NA 44260125 Pos Late 0 KNN sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 100006295 402 48493 164535 Lipid Sphingomyelins 3127 VBFKEZGCUWHGSK-ADSSWVSQSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCC/C=CCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA 29368329 HMDB0012104 NA NA Pos Late 0.00176056338028169 KNN sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 100006296 402 57477 211140 Lipid Sphingomyelins 3128 BBJBWENPFZYXKM-CUYAXJSGSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCC/C=C/C/C=C/CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA NA HMDB0240670,HMDB0240672,HMDB0240669 NA NA Pos Late 0.0519366197183099 KNN lignoceroyl sphingomyelin (d18:1/24:0) 100006298 402 57330 210828 Lipid Sphingomyelins 3109 QEDPUVGSSDPBMD-XTAIVQBESA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O 60037-60-7 24846875 HMDB0011697 NA NA Pos Late 0 KNN sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 100006314 402 52433 164557 Lipid Sphingomyelins 3116 LQINJRUGTUOHGS-YPDYIYJKSA-N CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O 121999-58-4 28532779 HMDB0240617,HMDB0240608 NA NA Pos Late 0 KNN nonanoylcarnitine (C9) 100006620 402 61775 218145 Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 1858 MPSPNFAQQQMFLK-UHFFFAOYSA-N [O-]C(CC(OC(CCCCCCCC)=O)C[N+](C)(C)C)=O NA 28533402 HMDB0013288 NA 91825642 Pos Late 0.00704225352112676 KNN 1,2-dilinoleoyl-GPC (18:2/18:2) 100008903 402 52603 165331 Lipid Phosphatidylcholine (PC) 2360 FVXDQWZBHIXIEJ-LNDKUQBDSA-N CCCCC/C=CC/C=CCCCCCCCC(OC[C@@H](OC(CCCCCCC/C=CC/C=CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O 998-06-1 4450312 HMDB0008138 NA 5288075 Pos Late 0.000880281690140845 KNN 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 100008904 402 52438 164562 Lipid Phosphatidylcholine (PC) 2323 ATHVAWFAEPLPPQ-VRDBWYNSSA-N O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CCCCCCCCC)=O 56421-10-4 24766704 HMDB0008038 NA 24778825 Pos Late 0 KNN 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 100008914 402 52462 165128 Lipid Phosphatidylcholine (PC) 2298 IIZPXYDJLKNOIY-JXPKJXOSSA-N CCCCCCCCCCCCCCCC(OC[C@@]([H])(OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O 35418-58-7 8923140 HMDB0007982 C05208 10747814 Pos Late 0 KNN 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 100008915 402 52610 165342 Lipid Phosphatidylcholine (PC) 2304 IESVDEZGAHUQJU-ZLBXKVHBSA-N CCCCCCCCCCCCCCCC(OC[C@](OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O)([H])COP([O-])(OCC[N+](C)(C)C)=O)=O 59403-54-2 4946007 HMDB0007991 NA 6441886 Pos Late 0 KNN 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 100008916 402 52611 165343 Lipid Phosphatidylcholine (PC) 2340 FAUYAENFVCNTAL-PFFNLMTBSA-N O=C(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)CO[P](OCC[N+](C)(C)C)([O-])=O 59403-52-0 NA HMDB0008057 NA 24778876 Pos Late 0 KNN 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 100008919 402 52614 165346 Lipid Plasmalogen 2810 XVYPOHCSLJZFED-QZEVRULJSA-N [H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CCCCCCC/C=CCCCCCCCC)=O)CO/C=CCCCCCCCCCCCCCCCC 144371-68-6 24769260 HMDB0011375 NA 42607457 Pos Late 0.00176056338028169 KNN sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 100008920 402 52615 165347 Lipid Sphingomyelins 3119 YMQZQHIESOAPQH-JXGHDCMNSA-N O=C(N[C@@]([C@]([H])(O)/C=C/CCCCCCCCCCCCC)([H])COP([O-])(OCC[N+](C)(C)C)=O)CCCCCCCCCCCCCCCC 121999-64-2 NA HMDB0240620,HMDB0240609,HMDB0240622 NA 46891763 Pos Late 0 KNN 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 100008921 402 52616 165348 Lipid Phosphatidylcholine (PC) 2282 PZNPLUBHRSSFHT-RRHRGVEJSA-N O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCCCCCCCCCCCC)=O 59403-51-9 24766643 HMDB0007970 C03889 24778686 Pos Late 0 KNN aripiprazole 100008941 402 52960 166298 Xenobiotics Drug - Psychoactive 5895 CEUORZQYGODEFX-UHFFFAOYSA-N ClC1=CC=CC(N2CCN(CCCCOC3=CC=C(CCC(N4)=O)C4=C3)CC2)=C1Cl 129722-12-9 54790 HMDB0005042 C12564 60795 Pos Late 0.996478873239437 Exclude enalapril 100008948 402 52949 166278 Xenobiotics Drug - Cardiovascular 5703 GBXSMTUPTTWBMN-UHFFFAOYSA-N CC(C(N1C(C(O)=O)CCC1)=O)NC(C(OCC)=O)CCC2=CC=CC=C2 75847-73-3 3109 HMDB0014722 C06977,D03769,DG00335 5388962 Pos Late 0.994718309859155 Exclude palmitoyl dihydrosphingomyelin (d18:0/16:0)* 100008954 402 52434 164558 Lipid Dihydrosphingomyelins 3100 QHZIGNLCLJPLCU-QPPIDDCLSA-N [H][C@](NC(CCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])CCCCCCCCCCCCCCC NA 8115586 HMDB0010168 NA 9939965 Pos Late 0 KNN tricosanoyl sphingomyelin (d18:1/23:0)* 100008955 402 52436 164560 Lipid Sphingomyelins 3108 SXZWBNWTCVLZJN-NMIJJABPSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCCCCCCC NA NA HMDB0012105 NA NA Pos Late 0 KNN sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 100008956 402 52435 164559 Lipid Sphingomyelins 3129 JBDGKEXQKCCQFK-JWQIMADESA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA HMDB0240634,HMDB0011696,HMDB0240614 NA 134757653 Pos Late 0 KNN sphingomyelin (d18:2/24:1, d18:1/24:2)* 100008957 402 52437 164561 Lipid Sphingomyelins 3131 TXFLWJQVQCDUDZ-BRUGZULGSA-N [H][C@](NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA HMDB0240636,HMDB0240615 NA 85336023 Pos Late 0 KNN diclofenac 100008961 402 52931 166262 Xenobiotics Drug - Analgesics, Anesthetics 5418 DCOPUUMXTXDBNB-UHFFFAOYSA-N OC(CC1=CC=CC=C1NC2=C(Cl)C=CC=C2Cl)=O 15307-86-5 NA HMDB0014724 D07816,DG00441,C01690 3033 Pos Late 0.993838028169014 Exclude azithromycin 100008963 402 52966 166310 Xenobiotics Drug - Antibiotic 5476 MQTOSJVFKKJCRP-UHFFFAOYSA-N CC(CC(C)(O)C(OC1OC(C)CC(N(C)C)C1O)C(C)C(OC2OC(C)C(O)C(C)(OC)C2)C3C)CN(C)C(C)C(O)C(O)(C)C(CC)OC3=O 83905-01-5 2182 HMDB0014352 DG00606,D06390,C06838 447043 Pos Late 0.975352112676056 Exclude 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 100008976 402 52446 165108 Lipid Phosphatidylethanolamine (PE) 2430 YDTWOEYVDRKKCR-KNERPIHHSA-N O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O NA 7825699 HMDB0008994 NA 9546749 Pos Late 0.00264084507042254 KNN 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 100008977 402 52447 165110 Lipid Phosphatidylethanolamine (PE) 2439 ANRKEHNWXKCXDB-BHFWLYLHSA-N O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O NA 4451158 HMDB0009003 C05210 5289133 Pos Late 0 KNN 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 100008980 402 52452 165115 Lipid Phosphatidylcholine (PC) 2326 FORFDCPQKJHEBF-JEFUZMEDSA-N CCCCCCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O NA NA HMDB0008039 NA 6441487 Pos Late 0 KNN 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 100008984 402 52470 165143 Lipid Phosphatidylcholine (PC) 2280 QIBZFHLFHCIUOT-HTXNQAPBSA-N CCCCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C/CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O NA NA HMDB0007969 NA 6443788 Pos Late 0 KNN 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 100008985 402 52454 165119 Lipid Phosphatidylcholine (PC) 2294 SRIGHEHXEGELQJ-YYQUKWHJSA-N CCCCCCCCCCCCCCCC(OC[C@@H](OC(CCCCCC/C=CC/C=CC/C=CCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O NA NA NA NA NA Pos Late 0 KNN 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 100008990 402 52464 165131 Lipid Phosphatidylethanolamine (PE) 2417 DRIVXEVMDWCWLI-CAQMIEAISA-N O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O NA 7825750 HMDB0005323 C05210 9546800 Pos Late 0.000880281690140845 KNN 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 100008991 402 52465 165133 Lipid Phosphatidylethanolamine (PE) 2419 MPWUZHVZZKSTPV-MADBQMNMSA-N O=C(CCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O NA 7825749 HMDB0008946 NA 9546799 Pos Late 0 KNN 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 100008992 402 52466 165134 Lipid Phosphatidylethanolamine (PE) 2443 XYYHNDVKALDFHQ-OXHZBIAZSA-N O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O NA 7825748 HMDB0009012 NA 9546798 Pos Late 0 KNN 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 100008993 402 52467 208085 Lipid Phosphatidylinositol (PI) 2540 KIQYUSYSJTUGFZ-LSLODQAYSA-N O=C(CCCCCCCCCCCCCCC)OC[C@@]([H])(OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)COP(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)(O)=O NA 24767674 HMDB0009789 NA NA Pos Late 0 KNN 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 100008994 402 52468 208084 Lipid Phosphatidylinositol (PI) 2544 KZVRAFHIKMDULK-HAVSRZFESA-N O=C(CCCCCCCCCCCCCCCCC)OC[C@@]([H])(OC(CCCCCCC/C=CC/C=CCCCCC)=O)COP(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)(O)=O NA 24767694 HMDB0009809 NA NA Pos Late 0 KNN gamma-tocopherol/beta-tocopherol 100008998 402 52473 165151 Cofactors and Vitamins Tocopherol Metabolism 4383 QUEDXNHFTDJVIY-DQCZWYHMSA-N CC1=C(C(CC2)=CC(O)=C1C)O[C@@]2(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C NA NA HMDB0006335,HMDB0001492 C14152,C02483 NA Pos Late 0 KNN 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 100008999 402 52475 165154 Lipid Plasmalogen 2819 URPXXNCTXCOATD-FXMFQVEGSA-N [H][C@](OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCCCC NA 7826008 HMDB0005779 NA 9547058 Pos Late 0.000880281690140845 KNN 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 100009002 402 52673 165435 Lipid Plasmalogen 2805 UUYSKERSKRMYME-MAIXUNBTSA-N [H][C@](OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCC NA 24769238 HMDB0011352 NA 52925126 Pos Late 0 KNN 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 100009005 402 52477 165158 Lipid Plasmalogen 2801 ZVVYJAAMWXATNY-PRWZWGSOSA-N [H][C@](OC(CCCCCCC/C=CCCCCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCC NA 24769228 HMDB0011342 NA 52925128 Pos Late 0.00440140845070423 KNN 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 100009007 402 52478 165160 Lipid Plasmalogen 2807 CRBBMHQTIAELIS-KQBBALDBSA-N [H][C@](OC(CCCCCCC/C=CCCCCCCCC)=O)(CO[P-](OCC[N+](C)(C)C)([O])=O)CO/C=CCCCCCCCCCCCCCC NA NA HMDB0007996 NA 34779384 Pos Late 0 KNN 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 100009009 402 52682 165449 Lipid Plasmalogen 2815 QLEHHUPUHJPURI-PWYDUFMYSA-N [H][C@](OC(CCCCCCC/C=CC/C=CCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)CO/C=CCCCCCCCCCCCCCC NA 24767486 HMDB0011211 NA 24779386 Pos Late 0 KNN 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 100009014 402 52689 165459 Lipid Plasmalogen 2814 IOYKZPNDXIIXLN-LOQSCQKMSA-N [H][C@](OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)CO/C=CCCCCCCCCCCCCCC NA 24767495 HMDB0011220 NA NA Pos Late 0 KNN sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 100009025 402 52495 165187 Lipid Sphingomyelins 3125 YXSZOBWVQJIWNE-QVDCKBILSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCCCCCCC NA NA HMDB0240619,HMDB0240611,HMDB0240621 NA NA Pos Late 0.00792253521126761 KNN behenoyl dihydrosphingomyelin (d18:0/22:0)* 100009026 402 57331 210829 Lipid Dihydrosphingomyelins 3101 FONAXCRWZQFJHY-JCGOJSMZSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])CCCCCCCCCCCCCCC NA 24846880 HMDB0012091 NA 44260132 Pos Late 0.000880281690140845 KNN sphingomyelin (d18:0/18:0, d19:0/17:0)* 100009027 402 57473 211136 Lipid Dihydrosphingomyelins 3102 JCELSEVNSMXGKA-IOLBBIBUSA-N [H][C@](NC(CCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])CCCCCCCCCCCCCCC NA 24846878 HMDB0012087 NA 44260130 Pos Late 0 KNN N-palmitoyl-sphinganine (d18:0/16:0) 100009028 402 52604 165334 Lipid Dihydroceramides 3010 GCGTXOVNNFGTPQ-JHOUSYSJSA-N [H][C@](NC(CCCCCCCCCCCCCCC)=O)(CO)[C@@](O)([H])CCCCCCCCCCCCCCC 5966-29-0 4446685 HMDB11760 NA 5283572 Pos Late 0.00440140845070423 KNN lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 100009030 402 53010 166340 Lipid Lactosylceramides (LCER) 3088 HLIJNIKSBCIDGO-QKLMXXKVSA-N O=C(CCCCCCCCCCCCCCC)N[C@@]([C@]([H])(O)/C=C/CCCCCCCCCCCCC)([H])CO[C@H](O1)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H](O2)[C@H](O)[C@@H](O)[C@H]([C@H]2CO)O 4201-62-1 NA HMDB0006750 NA 53477895 Pos Late 0.000880281690140845 KNN cetirizine 100009034 402 54745 207413 Xenobiotics Drug - Respiratory 5936 ZKLPARSLTMPFCP-UHFFFAOYSA-N ClC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CCOCC(O)=O)CC3 83881-51-0 2577 HMDB0005032 C07778 2678 Pos Late 0.933978873239437 Exclude myristoyl dihydrosphingomyelin (d18:0/14:0)* 100009038 402 57365 210891 Lipid Dihydrosphingomyelins 3099 MJAFYELZQYPMQG-MPQUPPDSSA-N [H][C@](NC(CCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])CCCCCCCCCCCCCCC NA 24846886 HMDB0012085 NA 44260138 Pos Late 0 KNN palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 100009052 402 52633 165386 Lipid Diacylglycerol 2907 SVXWJFFKLMLOHO-YAIZGCQRSA-N OC[C@]([H])(OC(CCCCCCC/C=CC/C=CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O NA 7822645 HMDB0007103 NA 9543695 Pos Late 0.0167253521126761 KNN palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 100009055 402 52634 165387 Lipid Diacylglycerol 2908 ZKYDYRLDJZZKEU-BCTRXSSUSA-N CCCCCCCCCCCCCCCC(OCC(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)=O NA NA HMDB0007103 NA 131801744 Pos Late 0.0140845070422535 KNN 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 100009066 402 52669 208075 Lipid Phosphatidylinositol (PI) 2535 PDLAMJKMOKWLAJ-KTBSNPQYSA-N O=C(CCCCCCCCCCCCCCC)OC[C@@]([H])(OC(CCCCCCC/C=CCCCCCCCC)=O)COP(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)(O)=O NA 24767668 HMDB0009783 NA 71296232 Pos Late 0.000880281690140845 KNN 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 100009069 402 52677 165443 Lipid Plasmalogen 2802 LJVXDBWIBQQKFU-CCJYEBHUSA-N [H][C@](OC(CCCCCCC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCC NA 24769229 HMDB0011343 NA 52925127 Pos Late 0.000880281690140845 KNN 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 100009078 402 52687 165457 Lipid Phosphatidylethanolamine (PE) 2445 GKAFCSRKMWFPSJ-RJXNKANHSA-N O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O NA 7825703 HMDB0005349 NA 9546753 Pos Late 0.0316901408450704 KNN 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 100009130 402 52697 165470 Lipid Phosphatidylcholine (PC) 2359 FPEVDFOXMCHLKL-KFDYCXSYSA-N O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O NA 24766785 HMDB0008123 NA 24778955 Pos Late 0 KNN 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 100009131 402 52710 165488 Lipid Phosphatidylcholine (PC) 2366 ZZSZQATYGVHNLZ-PUMLCSCDSA-N O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O NA 24766809 HMDB0008147 C05208 24778979 Pos Late 0.000880281690140845 KNN 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 100009139 402 53195 166625 Lipid Phosphatidylcholine (PC) 2267 SRQSAJRUMDQMMS-NLDJLLEISA-N O=C(CCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O NA 24766559 HMDB0007883 NA 24778634 Pos Late 0 KNN 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 100009160 402 52713 165492 Lipid Plasmalogen 2804 FZMYLOBGNYZPQO-QLSONYGBSA-N [H][C@](OC(CCCCCCC/C=CCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)CO/C=CCCCCCCCCCCCCCC NA 24767482 HMDB0011207 NA 52923882 Pos Late 0.00176056338028169 KNN 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 100009162 402 52716 165495 Lipid Plasmalogen 2803 PEWXKAOBUSBJLD-MCBGMKGZSA-N [H][C@](OC(CCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)CO/C=CCCCCCCCCCCCCCC NA 9322076 HMDB0011206 NA 11146967 Pos Late 0 KNN 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 100009181 402 52726 210892 Lipid Phosphatidylinositol (PI) 2543 YOBFISPJJWPPTK-BAAZTTAESA-N O=C(CCCCCCCCCCCCCCCCC)OC[C@@]([H])(OC(CCCCCCC/C=CCCCCCCCC)=O)COP(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)(O)=O NA NA HMDB0240667 NA NA Pos Late 0.00440140845070423 KNN 1,2-dilinoleoyl-GPE (18:2/18:2)* 100009217 402 53174 166599 Lipid Phosphatidylethanolamine (PE) 2453 SSCDRSKJTAQNNB-DWEQTYCFSA-N O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCCCCCC/C=CC/C=CCCCCC)=O NA 7825762 HMDB0009093 NA 9546812 Pos Late 0.53080985915493 Present/Absent 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 100009219 402 55041 210837 Lipid Phosphatidylethanolamine (PE) 2448 PECSWFQRRFRZPW-BHPGJWMBSA-N O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O NA 24768534 HMDB0009069 NA 348281223 Pos Late 0.0721830985915493 KNN 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 100009220 402 53209 166647 Lipid Phosphatidylethanolamine (PE) 2452 JZSZAGWWWKKXLO-RMEBTJIYSA-N O=C(CCCCCCC/C=CCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O NA 24768542 HMDB0009078 NA 52922113 Pos Late 0.101232394366197 KNN 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 100009225 402 52748 165539 Lipid Plasmalogen 2811 XVXISDREVDGQPX-PISDLAQISA-N [H][C@](OC(CCCCCCC/C=CC/C=CCCCCC)=O)(COP(OCCN)(O)=O)CO/C=CCCCCCCCCCCCCCCCC NA 24769261 HMDB0011376 NA NA Pos Late 0 KNN palmitoylcholine 100009233 402 52944 166270 Lipid Fatty Acid Metabolism (Acyl Choline) 1944 UFQZDKMTMXCDBP-UHFFFAOYSA-N C[N+](C)(C)CCOC(CCCCCCCCCCCCCC[CH2-])=O NA 133731 HMDB0240592 NA 151731 Pos Late 0.0246478873239437 KNN glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 100009272 402 53013 166346 Lipid Hexosylceramides (HCER) 3058 VJLLLMIZEJJZTE-NNTBDIJYSA-N [H][C@](O)([C@@](NC(CCCCCCCCCCCCCCC)=O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[H])/C=C/CCCCCCCCCCCCC NA NA NA NA NA Pos Late 0.000880281690140845 KNN oleoylcholine 100009331 402 53260 179345 Lipid Fatty Acid Metabolism (Acyl Choline) 1945 GFSSJDJAEKYAGX-UHFFFAOYSA-N O=C(CCCCCCC/[C-]=C/CCCCCCCC)OCC[N+](C)(C)C NA NA HMDB0240596 NA 59040790 Pos Late 0.073943661971831 KNN arachidonoylcholine 100009332 402 53261 179347 Lipid Fatty Acid Metabolism (Acyl Choline) 1953 XUWOVXDQNYUPNL-WYTUUNCASA-N O=C(CCC/[C-]=C/C/C=C/C/C=C/C/C=C/CCCCC)OCC[N+](C)(C)C NA NA HMDB0240583 NA 122198216 Pos Late 0.0484154929577465 KNN docosahexaenoylcholine 100009333 402 53263 179351 Lipid Fatty Acid Metabolism (Acyl Choline) 1952 OKLWSURGMYZXCS-GUTOPQIJSA-N O=C(CC/C=[C-]/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)OCC[N+](C)(C)C NA NA HMDB0240647 NA NA Pos Late 0.311619718309859 Present/Absent dihomo-linolenoyl-choline 100009335 402 53262 179349 Lipid Fatty Acid Metabolism (Acyl Choline) 1948 FRBBZHFNTVMXIH-OKLKQMLOSA-N O=C(CCCCCC/C=[C-]/C/C=C/C/C=C/CCCCC)OCC[N+](C)(C)C NA NA HMDB0240646 NA NA Pos Late 0.349471830985915 Present/Absent 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 100009343 402 53176 166602 Lipid Phosphatidylcholine (PC) 2361 HZGAVPNEGHQJID-UNBCHYIMSA-N O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CC/C=CC/C=CCC)=O NA 24766802 HMDB0008141 NA 52922731 Pos Late 0.00616197183098592 KNN 1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)* 100009345 402 53180 166609 Lipid Phosphatidylcholine (PC) 2311 MMUCLZZSNHBNFL-KBTBXKTRSA-N O=C(CCCCCCC/C=CCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=CC/C=CC/C=CCC)=O NA 24766677 HMDB0008008 NA 52922452 Pos Late 0.0651408450704225 KNN palmitoleoylcarnitine (C16:1)* 100009406 402 53223 178791 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1886 JFAGPSOZZSTLRF-KHPPLWFESA-N O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCCCC/C=CCCCCCC NA 28639183 HMDB0013207 NA 71464547 Pos Late 0 KNN palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 100010916 402 54943 208028 Lipid Diacylglycerol 2905 YEJYLHKQOBOSCP-OZKTZCCCSA-N CCCCCCCC/C=CCCCCCCCC(O[C@@H](CO)COC(CCCCCCCCCCCCCCC)=O)=O NA NA HMDB0007102 C13861 5282283 Pos Late 0.211267605633803 Present/Absent palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 100010917 402 54942 208027 Lipid Diacylglycerol 2906 YEJYLHKQOBOSCP-OZKTZCCCSA-N CCCCCCCC/C=CCCCCCCCC(O[C@@H](CO)COC(CCCCCCCCCCCCCCC)=O)=O NA NA HMDB0007102 C13861 5282283 Pos Late 0.0211267605633803 KNN oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 100010918 402 54945 208030 Lipid Diacylglycerol 2924 AFSHUZFNMVJNKX-CLFAGFIQSA-N OCC(OC(CCCCCCC/C=CCCCCCCCC)=O)COC(CCCCCCC/C=CCCCCCCCC)=O NA NA HMDB0007218 NA 9543716 Pos Late 0.0184859154929577 KNN oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 100010919 402 54946 208031 Lipid Diacylglycerol 2925 AFSHUZFNMVJNKX-CLFAGFIQSA-N OCC(OC(CCCCCCC/C=CCCCCCCCC)=O)COC(CCCCCCC/C=CCCCCCCCC)=O NA NA HMDB0007218 NA 9543716 Pos Late 0.00176056338028169 KNN linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 100010922 402 54955 208040 Lipid Diacylglycerol 2942 KRECEGQUDDMNAQ-MYBRWWDOSA-N OC[C@](OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(COC(CCCCCCC/C=CC/C=CCCCCC)=O)[H] NA NA HMDB0007257 NA 9543796 Pos Late 0.0651408450704225 KNN linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 100010923 402 54956 208041 Lipid Diacylglycerol 2943 KRECEGQUDDMNAQ-MYBRWWDOSA-N OC[C@](COC(CCCCCCC/C=CC/C=CCCCCC)=O)([H])OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O NA NA HMDB0007257 NA 9543796 Pos Late 0.0554577464788732 KNN palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 100010924 402 54957 208042 Lipid Diacylglycerol 2914 YJEMDFYSDGNQNM-KUKVZOPTSA-N CCCCCCCCCCCCCCCC(OCC(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO)=O NA NA HMDB0007112 NA 9543736 Pos Late 0.137323943661972 KNN palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 100010925 402 54958 208043 Lipid Diacylglycerol 2915 YJEMDFYSDGNQNM-KUKVZOPTSA-N CCCCCCCCCCCCCCCC(OCC(CO)OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)=O NA NA HMDB0007112 NA 9543736 Pos Late 0.073943661971831 KNN palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 100010930 402 54967 208052 Lipid Diacylglycerol 2912 BHGPPCIWDXQOMA-HZFIRFLSSA-N CCCCCC/C=C/CCCCCCCC(OCC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)CO)=O NA NA HMDB0007132 NA 9543699 Pos Late 0.00616197183098592 KNN diacylglycerol (14:0/18:1, 16:0/16:1) [1]* 100010934 402 54953 208038 Lipid Diacylglycerol 2888 XEQQGHISHUGMIP-WUKNDPDISA-N CCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C/CCCCCCCC)=O)CO)=O NA NA NA NA NA Pos Late 0.183098591549296 KNN diacylglycerol (14:0/18:1, 16:0/16:1) [2]* 100010935 402 54954 208039 Lipid Diacylglycerol 2889 XITYIRJXXQNQKT-FYWRMAATSA-N CCCCCCCCCCCCCC(OCC(OC(CCCCCCCCC/C=C/CCCCCC)=O)CO)=O NA NA NA NA NA Pos Late 0.205985915492958 Present/Absent oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 100010936 402 54960 208045 Lipid Diacylglycerol 2940 LWXLWRXRJKMNLM-XBUMEPTLSA-N CCCCCCCC/C=C/CCCCCCCC(OCC(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO)=O NA NA HMDB0007228 NA 9543786 Pos Late 0.0096830985915493 KNN oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 100010937 402 54961 208046 Lipid Diacylglycerol 2941 LWXLWRXRJKMNLM-XBUMEPTLSA-N CCCCCCCC/C=C/CCCCCCCC(OCC(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO)=O NA NA HMDB0007228 NA 9543786 Pos Late 0.00528169014084507 KNN diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 100010940 402 54966 208051 Lipid Diacylglycerol 2890 BHGPPCIWDXQOMA-HZFIRFLSSA-N CCCCCC/C=C/CCCCCCCC(OCC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)CO)=O NA NA NA NA NA Pos Late 0.122359154929577 KNN linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 100010941 402 54968 208053 Lipid Diacylglycerol 2932 MQGBAQLIFKSMEM-WVZYQCMWSA-N CCCCC/C=C/C/C=C/CCCCCCCC(OCC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)CO)=O NA NA HMDB0007248 NA 9543729 Pos Late 0 KNN stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 100010949 402 57450 211104 Lipid Diacylglycerol 2938 NSXLMTYRMFVYNT-IOLLQWDPSA-N CCCCCCCCCCCCCCCCCC(OCC(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO)=O NA NA HMDB0007170 C00165 6438587 Pos Late 0.117077464788732 KNN stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 100010950 402 57449 211103 Lipid Diacylglycerol 2939 NSXLMTYRMFVYNT-IOLLQWDPSA-N CCCCCCCCCCCCCCCCCC(OCC(CO)OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)=O NA NA HMDB0007170 NA 6438587 Pos Late 0.393485915492958 Present/Absent diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]* 100010959 402 55001 208101 Lipid Diacylglycerol 2887 GFDAVCSAIGBIQQ-WQUIGTGHSA-N OC[C@](OC(CCCCCCC/C=CCCCCCCCC)=O)(COC(CCCCCCCCCCC)=O)[H] NA NA HMDB0007012,HMDB0007096 NA 53478025,53477950 Pos Late 0.141725352112676 KNN N-palmitoyl-sphingadienine (d18:2/16:0)* 100015609 402 57416 211068 Lipid Ceramides 3032 XXWRZIYYFPIQHE-XPAOSYCESA-N [H][C@](NC(CCCCCCCCCCCCCCC)=O)(CO)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA HMDB0240686 NA NA Pos Late 0.0105633802816901 KNN lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 100015620 402 57370 210897 Lipid Lactosylceramides (LCER) 3092 MKOKWBRPIBQYJJ-WZBOJYASSA-N [H][C@](NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O)(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@H](O1)CO)[C@@](O)([H])/C=C/CCCCCCCCCCCCC NA 24846896 HMDB0004872 NA NA Pos Late 0.000880281690140845 KNN lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* 100015623 402 57422 211075 Lipid Lactosylceramides (LCER) 3091 QYWVASPEUXEHSY-NNRNTGNWSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCC)=O)(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@H](O1)CO)[C@@](O)([H])/C=C/CCCCCCCCCCCCC NA 24846893 HMDB0011594 NA 44260143 Pos Late 0.118838028169014 KNN N-behenoyl-sphingadienine (d18:2/22:0)* 100015624 402 57372 210899 Lipid Ceramides 3034 HILTUFAERVOALR-MQXYEJFFSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCC)=O)(CO)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA NA NA NA Pos Late 0.000880281690140845 KNN glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 100015625 402 57421 211074 Lipid Hexosylceramides (HCER) 3069 BZVOAOVDSULRAB-NUBHLNQHSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCC)=O)(CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA NA NA NA Pos Late 0.00176056338028169 KNN N-stearoyl-sphingadienine (d18:2/18:0)* 100015632 402 57417 211069 Lipid Ceramides 3033 LBBFOWQGVUEADU-CKGMUTLASA-N CCCCCCCCCCCCCCCCCC(NC(C(O)/C=C/CCCCCCCC/C=C/CCC)CO)=O NA NA HMDB0240362 NA 132282053 Pos Late 0.151408450704225 KNN sphingadienine 100015643 402 57426 211079 Lipid Sphingolipid Synthesis 3003 KWDXKYNWAKMLKK-YQMRQDNGSA-N OC(/C=C/CCCCCCCC/C=CCCC)C(CO)N([H])[H] 25696-03-1 4952479 NA NA 6449795 Pos Late 0.122359154929577 KNN palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* 100015681 402 57406 211055 Lipid Diacylglycerol 2916 IVRNQYIPGILFPZ-NKFLWTETSA-N OCC(OC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)COC(CCCCCCC/C=CCCCCCC)=O NA NA NA NA NA Pos Late 0.366197183098592 Present/Absent ceramide (d16:1/24:1, d18:1/22:1)* 100015727 402 57437 211091 Lipid Ceramides 3052 ODRVSCJZSDNQBP-LMGPGFSZSA-N OC(/C=C/CCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O NA NA NA NA NA Pos Late 0.0633802816901408 KNN N-palmitoyl-heptadecasphingosine (d17:1/16:0)* 100015731 402 57430 211083 Lipid Ceramides 3044 KXVLPPCAUYSNGY-BYCLXTJYSA-N OC(/C=C/CCCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCCCC)=O NA NA HMDB0240685 NA NA Pos Late 0.0642605633802817 KNN ceramide (d18:1/14:0, d16:1/16:0)* 100015735 402 57432 211086 Lipid Ceramides 3048 ZKRPGPZHULJLKJ-IMVLJIQESA-N OC(/C=C/CCCCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCC)=O NA NA HMDB0240681,HMDB0011773 NA NA Pos Late 0.0255281690140845 KNN ceramide (d18:1/17:0, d17:1/18:0)* 100015737 402 57434 211088 Lipid Ceramides 3049 ICWGMOFDULMCFL-SJCQXOIGSA-N OC(/C=C/CCCCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCCCCC)=O NA NA HMDB0240683,HMDB0240678 NA NA Pos Late 0.0792253521126761 KNN ceramide (d18:2/24:1, d18:1/24:2)* 100015744 402 57443 211097 Lipid Ceramides 3053 QMVWGDBKESWTON-OQKRWUNJSA-N CCCCCCCCCCCCC/C=C/C(O)C(NC(CCC/C=C/CC/C=C/CCCCCCCCCCCCCC)=O)CO NA NA HMDB0240679,HMDB0240680 NA NA Pos Late 0.000880281690140845 KNN glycosyl ceramide (d18:2/24:1, d18:1/24:2)* 100015745 402 57453 211107 Lipid Hexosylceramides (HCER) 3083 WYTRSDHGWSSQLK-PCKKJQKNSA-N OC(/C=C/CCCCCCCC/C=CCCC)C(COC1C(O)C(O)C(O)C(CO)O1)NC(CCCCCCCCCCCCC/C=CCCCCCCCC)=O NA NA NA NA NA Pos Late 0.000880281690140845 KNN glycosyl ceramide (d18:1/23:1, d17:1/24:1)* 100015751 402 57448 211102 Lipid Hexosylceramides (HCER) 3082 ZTXYYHYUNQRYIR-BLIGVESQSA-N CCCCCCCCCCCCC/C=C/C(O)C(NC(CCCCCCCCC/C=C/CCCCCCCCCCC)=O)COC1OC(CO)C(O)C(O)C1O NA NA NA NA NA Pos Late 0.494718309859155 Present/Absent glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* 100015752 402 57444 211098 Lipid Hexosylceramides (HCER) 3065 KNDOGXSGCOJBRQ-UHRQUHAFSA-N O=C(C(O)CCCCCCCCCCCC/C=CCCCCCCCC)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCCC NA NA NA NA NA Pos Late 0.0695422535211268 KNN ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* 100015755 402 57440 211094 Lipid Ceramides 3051 XWBWIAOWSABHFI-QOSDPKFLSA-N OC(/C=C/CCCCCCCCCCCCC)C(CO)NC(CCCCCCCCCCCCCCCCCCC)=O NA NA HMDB0240684,HMDB0240682,HMDB0004951 NA NA Pos Late 0 KNN stearoylcholine* 100015759 402 57464 211120 Lipid Fatty Acid Metabolism (Acyl Choline) 1951 WYVHUXGFCVDOEA-UHFFFAOYSA-N C[N+](C)(C)C[CH-]OC(CCCCCCCCCCCCCCCCC)=O NA NA HMDB0240648 NA 90111 Pos Late 0.236795774647887 Present/Absent linoleoylcholine* 100015760 402 57463 211119 Lipid Fatty Acid Metabolism (Acyl Choline) 1949 GVYIAXNFCSAJSK-OKLKQMLOSA-N C[N+](C)(C)C[CH-]OC(CCCCCCC/C=C/C/C=C/CCCCC)=O NA NA HMDB0013213 NA 53481656 Pos Late 0.0193661971830986 KNN 1-cerotoyl-GPC (26:0)* 100015772 402 61505 217727 Lipid Lysophospholipid 2658 WSDKRPCAPHRNNZ-MGBGTMOVSA-N C[N+](C)(CCOP([O-])(OC[C@@](O)([H])COC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)=O)C NA 35032836 HMDB29205 NA NA Pos Late 0.337147887323944 Present/Absent ondansetron 100015776 402 57794 213773 Xenobiotics Drug - Gastrointestinal 5738 FELGMEQIXOGIFQ-UHFFFAOYSA-N CC1=NC=CN1CC2CCC3=C(C2=O)c4c(N3C)cccc4 99614-02-5 4434 HMDB0005035 C07325 4595 Pos Late 0.997359154929577 Exclude sphingomyelin (d18:0/20:0, d16:0/22:0)* 100015786 402 57476 211139 Lipid Dihydrosphingomyelins 3103 UGRZESKDAPEULH-ACEXITHZSA-N CCCCCCCCCCCCCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA NA HMDB0012090 NA NA Pos Late 0.000880281690140845 KNN sphingomyelin (d18:1/19:0, d19:1/18:0)* 100015787 402 57475 211138 Lipid Sphingomyelins 3121 HAFQHLHNPJDAGB-MAJDXUCPSA-N CCCCCCCCCCCCCCCCCCC(N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)COP([O-])(OCC[N+](C)(C)C)=O)=O NA NA NA NA NA Pos Late 0.0519366197183099 KNN sphingomyelin (d18:2/18:1)* 100015788 402 57474 211137 Lipid Sphingomyelins 3110 YMTVMVYOUDDTQJ-UOMMIRHQSA-N [H][C@](NC(CCCCCCC/C=CCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA HMDB0001348 NA 52931155 Pos Late 0 KNN sphingomyelin (d18:2/24:2)* 100015789 402 57479 211142 Lipid Sphingomyelins 3112 ZLNGRWIWHFFRNK-UKCALJHFSA-N CCC/C=C/CCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCC/C=C/C/C=C/CC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA NA HMDB0240644 NA NA Pos Late 0.0440140845070423 KNN sphingomyelin (d18:2/21:0, d16:2/23:0)* 100015790 402 57480 211143 Lipid Sphingomyelins 3126 SDUGEKJCGFHJRC-GKPQAQNZSA-N CCC/C=C/CCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA NA HMDB0240676 NA NA Pos Late 0.0519366197183099 KNN sphingomyelin (d18:2/23:1)* 100015791 402 57482 211145 Lipid Sphingomyelins 3111 FEKSRDMVIULIDJ-SQPFVDNVSA-N CCC/C=C/CCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC/C=C/CCC)=O)COP([O-])(OCC[N+](C)(C)C)=O NA NA HMDB0240668 NA NA Pos Late 0 KNN sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* 100015792 402 57478 211141 Lipid Sphingomyelins 3132 JONXXLXMISNQNG-BXMSAMRLSA-N [H][C@](NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCCCCCCC NA 24846885 HMDB0240675,HMDB0240674,HMDB0240673,HMDB0240671 NA NA Pos Late 0.0387323943661972 KNN sphingomyelin (d17:2/16:0, d18:2/15:0)* 100015793 402 57483 211146 Lipid Sphingomyelins 3117 YHBBZTIPONDTRX-TVUHHANTSA-N [H][C@](NC(CCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)[C@@](O)([H])/C=C/CCCCCCCC/C=CCCC NA NA HMDB0240677 NA NA Pos Late 0 KNN linolenoylcarnitine (C18:3)* 100015831 402 57511 211212 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1893 WJCRATGUUISKDG-QNEBEIHSSA-N O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCCCCCC/C=CC/C=CC/C=CCC NA NA NA NA NA Pos Late 0 KNN behenoylcarnitine (C22)* 100015832 402 57514 211215 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1869 IUMXSSOVGPXXJL-UHFFFAOYSA-N O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCCCCCCCCCCCCCCCCCCCC NA 28639204 HMDB0062468 NA 71464577 Pos Late 0.0246478873239437 KNN arachidoylcarnitine (C20)* 100015833 402 57513 211214 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1868 SVJLJQBGUITFLI-UHFFFAOYSA-N O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCCCCCCCCCCCCCCCCCC NA 28639199 HMDB0006460 NA 53477833 Pos Late 0.00264084507042254 KNN lignoceroylcarnitine (C24)* 100015834 402 57515 211216 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1870 YDUFZFUYBBPVLJ-UHFFFAOYSA-N O=C(CCCCCCCCCCCCCCCCCCCCCCC)OC(C[N+](C)(C)C)CC([O-])=O NA NA HMDB0240665 NA NA Pos Late 0 KNN cerotoylcarnitine (C26)* 100015835 402 57516 211217 Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 1871 KOCKWDDTAHPJSX-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)=O NA 35015992 HMDB0006347 NA 53477828 Pos Late 0.0519366197183099 KNN ximenoylcarnitine (C26:1)* 100015836 402 57517 211218 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1891 ONGUASHYQLGIFC-OCOZRVBESA-N O=C(OC(C[N+](C)(C)C)CC([O-])=O)CCC/C=C/CCCCCCCCCCCCCCCCCCCC NA NA NA NA NA Pos Late 0.0519366197183099 KNN arachidonoylcarnitine (C20:4) 100015837 402 57518 211219 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1895 RBFQHRALHSUPIA-SNPVRQPZSA-N CCCCC/C=CC/C=CC/C=CC/C=CCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O NA NA HMDB0006455 NA 136212424 Pos Late 0.00352112676056338 KNN eicosenoylcarnitine (C20:1)* 100015838 402 57519 211220 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1888 PVOQPLSKYNZHOT-OUKQBFOZSA-N O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCCCCCC/C=C/CCCCCCCC NA NA NA NA NA Pos Late 0.00704225352112676 KNN dihomo-linoleoylcarnitine (C20:2)* 100015839 402 57520 211221 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1894 OLZWDVKTOGTVLC-UTJQPWESSA-N O=C(CCCCCCCCC/C=CC/C=CCCCCC)OC(C[N+](C)(C)C)CC([O-])=O NA NA NA NA NA Pos Late 0.00880281690140845 KNN dihomo-linolenoylcarnitine (C20:3n3 or 6)* 100015840 402 57521 211222 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1896 RDIZZXFTCZPSRY-WYTUUNCASA-N O=C(CCCCCC/C=C/C/C=C/C/C=C/CCCCC)OC(CC([O-])=O)C[N+](C)(C)C NA NA NA NA NA Pos Late 0 KNN nervonoylcarnitine (C24:1)* 100015846 402 57531 211232 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1890 QGIHQXKFCAACHN-SEYXRHQNSA-N O=C(CCCCCCCCCCCCC/C=CCCCCCCCC)OC(C[N+](C)(C)C)CC([O-])=O NA NA HMDB0006509 NA NA Pos Late 0.0669014084507042 KNN adrenoylcarnitine (C22:4)* 100015850 402 57528 211229 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1900 OLORTLVEDIELGC-SNPVRQPZSA-N O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCC/C=CC/C=CC/C=CC/C=CCCCCC NA NA NA NA NA Pos Late 0.28080985915493 Present/Absent docosapentaenoylcarnitine (C22:5n3)* 100015851 402 57529 211230 Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 1901 MJPIXACTUMSGGI-WMPRHZDHSA-N O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCC/C=CC/C=CC/C=CC/C=CC/C=CCC NA NA NA NA 71464594 Pos Late 0.419894366197183 Present/Absent clindamycin 100015876 402 57673 213167 Xenobiotics Drug - Antibiotic 5478 KDLRVYVGXIQJDK-AWPVFWJPSA-N CCC[C@@H]1C[C@@H](C(N[C@H]([C@@H](Cl)C)[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC)O2)=O)N(C)C1 18323-44-9 393915 HMDB0015321 DG00435,C06914,D00277 446598 Pos Late 0.999119718309859 Exclude glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 100015882 402 57595 212143 Lipid Hexosylceramides (HCER) 3079 FXNTXJCUSRJUFN-QOSDPKFLSA-N OCC(NC(CCCCCCCCCCCCCCCCCCC)=O)C(OC1OC(CO)C(O)C(O)C1O)/C=C/CCCCCCCCCCCCC NA NA NA NA NA Pos Late 0.0096830985915493 KNN carotene diol (1) 100015966 402 57635 212257 Cofactors and Vitamins Vitamin A Metabolism 4432 JKQXZKUSFCKOGQ-DKLMTRRASA-N CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC(O)C1 NA NA NA NA NA Pos Late 0 KNN carotene diol (2) 100015967 402 57636 212258 Cofactors and Vitamins Vitamin A Metabolism 4433 JKQXZKUSFCKOGQ-DKLMTRRASA-N CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC(O)C1 NA NA NA NA NA Pos Late 0.00176056338028169 KNN carotene diol (3) 100015968 402 57637 212259 Cofactors and Vitamins Vitamin A Metabolism 4434 JKQXZKUSFCKOGQ-DKLMTRRASA-N CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC(O)CC2(C)C)C(C)(C)CC(O)C1 NA NA NA NA NA Pos Late 0.0334507042253521 KNN 5-dodecenoylcarnitine (C12:1) 100016069 402 61769 218137 Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 1883 PETYOUXDCHQKTQ-QXPKXGMISA-N CCCCCC/C=CCCCC(O[C@@H](C[N+](C)(C)C)CC([O-])=O)=O NA NA HMDB13326 NA 91825571 Pos Late 0.0167253521126761 KNN 3-hydroxyoleoylcarnitine 100019801 402 61840 218539 Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 1930 YBCVTTMMURGSEY-LMLDZDDJSA-N CCCCCCCC/C=CCCCCCC(O)CC(O[C@@H](C[N+](C)(C)C)CC([O-])=O)=O NA 48061587 NA NA 129637446 Pos Late 0.00264084507042254 KNN sphingomyelin (d17:1/14:0, d16:1/15:0)* 100020276 402 62152 219058 Lipid Sphingomyelins 3113 VDFACZRLDXDTEB-WSYRTZMQSA-N CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O NA NA NA NA NA Pos Late 0 KNN eicosenamide (20:1)* 100020764 402 62445 219664 Lipid Fatty Acid, Amide 1733 LBHQTVBKPMHICN-KTKRTIGZSA-N O=C(CCCCCCCCC/C=CCCCCCCCC)N([H])[H] NA 4517402 NA NA 5365374 Pos Late 0 KNN desmethylcitalopram* 100020790 402 62477 219743 Xenobiotics Drug - Psychoactive 5873 PTJADDMMFYXMMG-UHFFFAOYSA-N FC1=CC=C(C=C1)C2(CCCNC)OCC3=C2C=CC(C#N)=C3 NA 142424 HMDB0014021 C16608 162180 Pos Late 0.925176056338028 Exclude N-desalkylquetiapine* 100020805 402 62484 219752 Xenobiotics Drug - Psychoactive 5894 JLOAJISUHPIQOX-UHFFFAOYSA-N N1(C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3)CCNCC1 NA 9544835 NA NA 11369918 Pos Late 0.98943661971831 Exclude X-11261 999911261 402 32578 158527 NA NA NA NA NA NA NA NA NA NA Pos Late 0 KNN X-13431 999913431 402 47788 160155 NA NA NA NA NA NA NA NA NA NA Pos Late 0.0105633802816901 KNN X-15469: ret for 64393 999915469 402 46640 159814 NA NA NA NA NA NA NA NA NA NA Pos Late 0.0184859154929577 KNN X-17328 999917328 402 47818 160185 NA NA NA NA NA NA NA NA NA NA Pos Late 0.119718309859155 KNN X-17335 999917335 402 47820 160187 NA NA NA NA NA NA NA NA NA NA Pos Late 0.0105633802816901 KNN X-17337: ret for 63613 999917337 402 47821 160188 NA NA NA NA NA NA NA NA NA NA Pos Late 0 KNN X-23641 999923641 402 49517 161185 NA NA NA NA NA NA NA NA NA NA Pos Late 0.096830985915493 KNN X-23680 999923680 402 49557 161248 NA NA NA NA NA NA NA NA NA NA Pos Late 0 KNN X-23782 999923782 402 49681 161533 NA NA NA NA NA NA NA NA NA NA Pos Late 0 KNN X-24106: ret for 62984 999924106 402 52135 164079 NA NA NA NA NA NA NA NA NA NA Pos Late 0.000880281690140845 KNN