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Metabolite ID	External annotation	Deionized mass	Average m/z	Average RT	Adduct	Associated genes (overlap)	Associated genes (±5 kb)
P25550	Aristoloterpenate II	527.1984113	528.2019142	14.71599744	[M+H]+	105	436
P27182		559.7915326	560.8000587	15.12378248	[M+H]+	105	428
P28916	S-[(Z)-N-Hydroxy(phenyl)acetimidoyl]-L-glutathione	440.1367407	441.1425334	15.63550329	[M+H]+	105	372
P29973	Galangin 5-methyl ether	284.0695363	285.0757442	15.91475524	[M+H]+	105	433
P30623		665.7881484	666.7973439	16.08671745	[M+H]+	105	429
P30987	6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	358.0893719	359.0976596	16.18539172	[M+H]+	105	418
P31327	Aurantiomide A	372.1794116	1117.540586	16.30861528	[3M+H]+	105	402
P31454		952.3496099	953.348297	16.34605051	[M+H]+	105	387
P31621		820.2727178	821.2859479	16.39384005	[M+H]+	105	413
P32075	3-O-beta-D-Glucopyranosyl hederagenin	634.4028487	635.4101236	16.54691505	[M+H]+	105	382
P35059	Benzyl 3-methylbutanoate	192.1138978	193.1205727	17.63063048	[M+H]+	105	392
P38578	3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	206.1653367	207.1725437	19.08341729	[M+H]+	105	434
P40007	Adhyperforin	550.3984705	551.4057058	19.87101872	[M+H]+	105	480
P45054	1-(9Z-octadecenoyl)-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphoserine	677.3490708	678.3568116	23.03014155	[M+H]+	105	438
P45809	Allyl ether	98.0726442	99.07961672	23.57999604	[M+H]+	105	371
P46936	1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)	876.4779784	877.4907173	24.42341338	[M+H]+	105	401
P52816	Alloeremophilone	218.1652379	219.1727576	29.20022573	[M+H]+	105	404
P54671		358.7360604	359.7417768	31.17303255	[M+H]+	105	369
P01539	Clitidine	270.0863808	271.0921023	4.080131726	[M+H]+	104	379
P05260		368.6110961	369.6194552	8.681163818	[M+H]+	104	411
P06364		785.2020356	786.2053115	9.006739617	[M+H]+	104	401
P09170	Daphnoline	580.2617182	581.2695032	10.05163913	[M+H]+	104	416
P12572	Thiomarinol B	672.2387422	673.2440711	11.16003652	[M+H]+	104	357
P13879	Furametpyr	333.1245737	334.1317119	11.59088288	[M+H]+	104	379
P14685		229.5656234	230.5720608	11.82571965	[M+H]+	104	350
P16570	N-[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline 3-nitrooxypropyl ester	479.2301458	480.2398433	12.31563046	[M+H]+	104	424
P18196		105.0291106	106.0370236	12.71480339	[M+H]+	104	396
P22412	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	256.1299332	257.1367843	13.85542361	[M+H]+	104	395
P23185	(E)-3,7-Dimethyl-2,6-octadienyl nonanoate	294.2530805	295.2600139	14.06045354	[M+H]+	104	420
P23839	Pelargonidin 3-O-[2-O-beta-D-glucopyranosyl-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)	902.2474782	903.2556986	14.23197874	[M+H]+	104	426
P23909		587.2915511	588.2974763	14.25877976	[M+H]+	104	384
P24951	Homoarbutin	286.102997	287.1096536	14.56806745	[M+H]+	104	397
P25295	Okaramine A	520.2457056	521.2516684	14.66758946	[M+H]+	104	419
P26205	N-Hydroxy-MeIQx	229.0942598	230.1006583	14.90761024	[M+H]+	104	438
P26478	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2	1062.401656	1063.405498	14.99076178	[M+H]+	104	468
P30265	Petromurin A	512.2327621	513.2430504	15.99020357	[M+H]+	104	419
P30308	pyroglutamyl-histidyl-glycine	323.1236511	324.1302815	15.99945437	[M+H]+	104	404
P32256	N-(7Z-tetradecenoyl)-homoserine lactone	309.2252649	310.2341694	16.6073045	[M+H]+	104	395
P33709	UDP-L-threo-4-pentosulose	374.0966561	375.1015754	17.11966999	[M+H]+	104	396
P34424	(-)-Brainic acid	514.1121096	515.1181367	17.40877742	[M+H]+	104	446
P34971	6-Methoxycrinamine	331.1433689	332.1511882	17.59104979	[M+H]+	104	412
P36897		167.0986593	168.1046094	18.35862395	[M+H]+	104	440
P38983	Chrysopentamine	559.2948142	560.3041727	19.31361738	[M+H]+	104	417
P39845	Celogentin C	1026.533277	1027.542387	19.77467517	[M+H]+	104	402
P40759	Mibefradil	495.28942	496.2944197	20.33722127	[M+H]+	104	372
P41710	D-Phe-L-Pro-L-Arg-(Chloromethyl) ketone	478.2098697	479.2174504	20.91113691	[M+H]+	104	346
P41812		1155.559975	1156.563875	20.95986505	[M+H]+	104	401
P41885	Yayoisaponin C	1096.538415	1097.548225	20.99449993	[M+H]+	104	433
P42387	m-Trigallic acid	474.0455581	475.0536241	21.36775565	[M+H]+	104	488
P42596	PE(TXB2/DiMe(9,3))	843.4898822	844.5008695	21.51696406	[M+H]+	104	406