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Metabolite ID	External annotation	Deionized mass	Average m/z	Average RT	Adduct	Associated genes (overlap)	Associated genes (±5 kb)
P29285	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside	510.2085591	511.2157386	15.74633574	[M+H]+	185	697
P31235	Ethambutol	204.1848589	205.192309	16.27036117	[M+H]+	185	732
P31826	TR-Saponin A	1008.512259	1009.518534	16.45284829	[M+H]+	185	753
P36240	IM-2	188.1084242	189.1154017	18.05495708	[M+H]+	185	666
P05741	Nitrogen mustard N-oxide	171.0221458	172.0305667	8.817715609	[M+H]+	184	685
P10145	Aspergilone A	386.1900287	387.1945856	10.36821849	[M+H]+	184	786
P13070	TM 64	314.1218023	315.1318664	11.3444758	[M+H]+	184	683
P23629	Cycloshizukaol A	548.2408706	549.2477189	14.16849845	[M+H]+	184	687
P24680	(2S)-2-Hexylsulfanyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]decanamide	470.2431035	471.2495494	14.49311376	[M+H]+	184	721
P25345	Fura-2	641.1548331	642.1653341	14.67672781	[M+H]+	184	715
P31675	N-Deisopropyl-fluvastatin	369.1340038	370.1425703	16.40941518	[M+H]+	184	736
P34634	1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol	406.1959055	407.204736	17.47822799	[M+H]+	184	756
P38526		509.1855759	510.1928191	19.0616473	[M+H]+	184	654
P46681	Selanc	751.4279838	752.4357257	24.25792814	[M+H]+	184	760
P46758	Cyclovirobuxeine F	560.3626583	561.3708965	24.30780817	[M+H]+	184	688
P06565	N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid	449.1443333	450.1521127	9.095673665	[M+H]+	183	714
P13918	Trifuhalol B	390.0567563	391.0647526	11.60376677	[M+H]+	183	672
P15055	alpha-(Dimethylaminomethyl)-2-(3-ethyl-5-methyl-4-isoxazolyl)-1H-indole-3-methanol	313.1762585	314.1834324	11.92368019	[M+H]+	183	690
P15192	Mycalolide A	908.4442741	909.4491019	11.94408156	[M+H]+	183	740
P20611	cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene	192.0788174	193.0850869	13.34748915	[M+H]+	183	686
P24140	Aristolindiquinone	218.0572615	219.0637931	14.32637519	[M+H]+	183	675
P29594	Butanoic acid, 3-((2-naphthalenylsulfonyl)amino)-4-oxo-4-((2-phenylethyl)amino)-, (S)-	426.1241988	427.1312585	15.82458241	[M+H]+	183	775
P36026	O-Phosphoviomycin	765.2884721	766.2976949	17.99608956	[M+H]+	183	705
P37799	4-pregnene-17alpha,20beta,21-triol-3,11-dione	362.2054029	363.2127264	18.77630629	[M+H]+	183	733
P38116	Leuphasyl	569.2840777	570.2907356	18.87499079	[M+H]+	183	744
P39693	4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid	555.2408145	556.2480686	19.68680341	[M+H]+	183	761
P44241	Avermectin A2a monosaccharide	760.4379882	761.4431377	22.49904057	[M+H]+	183	747
P46117	(S)-3-(6-Methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid	439.222466	440.2338794	23.75844933	[M+H]+	183	754
P46875	2-Ethylhexyl 4-(dimethylamino)benzoate	277.2077111	278.2164813	24.3718236	[M+H]+	183	706
P00749	4(3H)-Quinazolinone, 2-ethyl-3-(o-tolyl)-	264.1256977	265.1334879	3.684433862	[M+H]+	182	724
P02131	Eustifoline D	221.0835867	222.0913128	4.952646624	[M+H]+	182	697
P24545	5-Methoxy-3,4-methylenedioxyamphetamine	209.1041595	210.112627	14.44486813	[M+H]+	182	710
P37572	28-Glucosyloleanolic acid 3-[rhamnosyl-(1->2)-galactosyl-(1->3)-glucuronide]	1116.541458	1117.546268	18.68292219	[M+H]+	182	731
P43306		102.0457619	103.0535104	21.98137927	[M+H]+	182	716
P05454	Leonuriside A	332.1106102	333.1163268	8.736104959	[M+H]+	181	668
P06475	(+)-5,17-Dehydromatrine N-oxide	262.1660557	263.1721527	9.059597273	[M+H]+	181	660
P16872	Methyl-4-O-caffeoylquinate	368.1085833	369.1179605	12.386305	[M+H]+	181	650
P21471	Illifunone C	252.133087	253.1413016	13.57870863	[M+H]+	181	716
P33036	1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one	270.1495328	271.155549	16.88800492	[M+H]+	181	753
P52796	Famprofazone	377.2442606	378.2528367	29.14168917	[M+H]+	181	768
P02752	Polanrazine B	377.1240442	378.129729	5.832078634	[M+H]+	180	713
P06961	Norhygrine	127.0981359	128.105696	9.237089789	[M+H]+	180	681
P10476		264.6078525	265.6140672	10.45305526	[M+H]+	180	726
P10479	L-Arogenate	227.0795179	228.0865261	10.45493477	[M+H]+	180	737
P12237	Siwanine A	505.2574695	506.2645243	11.03249585	[M+H]+	180	673
P16337	Triphyllin A	656.2394813	657.2468587	12.24417934	[M+H]+	180	675
P17370	Kosinostatin	616.2045803	617.2161271	12.52302527	[M+H]+	180	760
P26964		688.2989856	689.3076987	15.08223963	[M+H]+	180	683
P29279	Cyromazine	166.0979653	167.1049019	15.74432659	[M+H]+	180	699
P30762	5,5-Dimethyl-1-ethyl-1,3-cyclopentadiene	122.1083329	123.1159897	16.1260786	[M+H]+	180	686