Clustering data with hclust algorithm for (Study ST004459)

(Analysis AN007465)
MetaboliteStructureF1F2F3F4F5F6F7F8
oleuropein (dialdehyde form)ME12478400.110.080.12NA0.025.630.03NA
3^-O-MethyldiplaconeME12479800.050.080.11NA0.334.251.17NA
Cortisone acetateME12470090.040.040.07NA0.254.551.05NA
AbacavirME12486190.180.230.23NA0.234.580.55NA
FumagillolME12468780.060.070.08NA0.244.930.62NA
PA(13:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))ME12481820.390.420.35NA4.740.030.07NA
Combretanone EME12480460.734.420.16NA0.240.220.22NA
Diaminobutyric acidME12482960.150.212.70NA1.040.811.09NA
Trp Ile HisME12475510.150.582.44NA1.040.950.85NA
GinkgetinME12486590.970.253.82NA0.350.400.21NA
14-DeoxyandrographolideME12469940.140.363.59NA0.680.790.45NA
Segetalin GME12473860.360.443.69NA0.490.430.58NA
AsparaginylasparagineME12472602.450.392.10NA0.390.330.35NA
PSEUDO-ANISATINME12484381.890.292.05NA0.290.880.61NA
Anofinic acidME12477182.590.551.35NA0.720.310.47NA
AurinME12486272.790.590.93NA0.210.431.06NA
IrisoquinME12480441.001.472.86NA0.260.180.23NA
Thioridazine 5-sulfoxideME12480240.801.722.85NA0.210.200.23NA
2,3-dihydro-3beta-methoxy withaferin AME12486010.502.272.44NA0.310.220.27NA
GlutathioneME12473430.511.962.81NA0.110.310.30NA
quadranoside IVME12487172.411.212.04NA0.110.120.11NA
Calenduloside EME12481272.261.432.14NA0.030.070.07NA
TilianinME12470772.311.422.25NA0.010.010.01NA
RugulosoneME12477231.871.252.66NA0.070.100.06NA
StansiosideME12485732.151.262.49NA0.020.050.03NA
4-Hydroxy-5-(3^,5^-dihydroxyphenyl)-valeric acid sulfateME12483252.121.382.40NA0.030.040.03NA
Melampodin BME12478501.991.392.41NA0.040.070.10NA
Isovouacapenol CME12477281.571.012.22NA0.140.300.76NA
Ethyl linolenateME12470841.821.282.02NA0.160.270.45NA
PolydatinME12470451.741.002.28NA0.310.310.36NA
1beta-methylcarbapenemME12475702.091.031.58NA0.460.400.43NA
CanagliflozinME12486912.091.021.50NA0.470.500.42NA
2,3,5,4^-Tetrahydroxystilbene 2-O-beta-D-glucosideME12468752.011.241.94NA0.250.400.17NA
9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dioneME12485722.110.951.99NA0.340.460.15NA
SM(d18:1/TXB2)ME12481942.161.032.15NA0.270.270.12NA
Benzyl benzoateME12481292.371.261.17NA0.450.360.40NA
Pinoresinol 4-O-beta-D-glucopyranosideME12469852.391.371.17NA0.410.270.39NA
FlunarizineME12482632.351.491.17NA0.330.420.23NA
SpermineME12472182.411.481.28NA0.290.440.11NA
Callyspongenol AME12474082.401.641.34NA0.170.220.22NA
FlavaprinME12480302.401.491.31NA0.250.220.33NA
Methyl 1-(2-propenylsulfinyl)propyl disulfideME12483671.971.441.15NA0.340.840.26NA
1,2,8-Trihydroxy-3-methylanthraquinoneME12483642.061.391.17NA0.450.480.44NA
CryptotanshinoneME12481502.131.471.18NA0.410.520.29NA
RhamnocitrinME12470642.151.991.67NA0.060.060.08NA
alpha-Cyclogeraniol acetateME12474352.231.901.78NA0.030.020.03NA
Okaramine OME12476992.161.961.81NA0.020.020.03NA
Iminoerythrose 4-phosphateME12481852.111.701.79NA0.090.160.16NA
Kaempferol 4^-rhamnosideME12476982.121.721.73NA0.110.120.21NA
CafestolME12481372.321.701.74NA0.040.070.13NA
VasicinoneME12468862.311.771.67NA0.070.050.13NA
Asp Asn HisME12475432.251.751.62NA0.220.080.07NA
NitrovinME12485932.211.621.71NA0.230.120.11NA
Ganoderal AME12469592.221.301.91NA0.090.100.37NA
dopaol beta-D-glucosideME12485872.121.591.78NA0.170.290.05NA
CbhcyME12484172.091.411.80NA0.290.210.20NA
FraxetinME12471812.121.511.64NA0.290.220.21NA
DarutosideME12469182.351.381.79NA0.180.180.12NA
3,5,7,3^,4^,5^-Hexahydroxy-6,8-dimethylflavanoneME12478392.311.541.63NA0.180.140.20NA
3-Cyclohexyl-1-propylsulfonic acidME12483892.291.461.64NA0.200.060.35NA
ErosninME12483311.981.911.43NA0.150.150.39NA
Dehydrotumulosic acidME12469861.921.571.62NA0.330.240.32NA
11beta-HydroxyandrosteroneME12470111.841.661.67NA0.260.270.29NA
S-adenosyl-L-methionineME12470301.801.581.68NA0.310.260.36NA
Stellettin JME12473901.831.671.79NA0.150.170.40NA
4,6-HeneicosanedioneME12483462.001.561.81NA0.120.200.31NA
BergeninME12471751.921.681.76NA0.160.240.24NA
SargaolME12476771.911.601.81NA0.240.190.25NA
QUINOXALINEME12481722.041.681.61NA0.050.300.33NA
Kanosamine 6-phosphateME12480082.201.621.55NA0.160.250.22NA
AxerophtheneME12474782.101.651.61NA0.170.160.31NA
N^-FormylkynurenineME12471042.061.631.53NA0.210.250.33NA
O-methylmalonylcarnitineME12485822.121.641.41NA0.340.310.18NA
PA(13:0/PGE1)ME12481901.951.801.48NA0.320.250.21NA
11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acidME12473292.111.671.60NA0.260.230.12NA
4-O-feruloyl-D-quinic acidME12485432.051.791.56NA0.190.230.18NA
N-AcetylkynurenineME12483532.151.791.52NA0.190.230.12NA
GlucovanillinME12470712.891.131.72NA0.090.080.09NA
(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucosideME12483872.661.451.49NA0.180.120.10NA
Syringylresinol diacetateME12475522.701.531.41NA0.140.090.13NA
Lys Val PheME12487132.711.511.71NA0.030.030.02NA
Diosmetin-7-O-beta-D-glucopyranosideME12468962.441.701.71NA0.040.060.04NA
DecarbamoylneosaxitoxinME12482892.471.601.76NA0.050.070.04NA
Erythrophloin EME12473972.501.571.82NA0.050.010.04NA
FramycetinME12481521.231.852.79NA0.030.030.06NA
PA(16:1(9Z)/18:3(9Z,12Z,15Z))ME12482221.241.772.79NA0.090.060.04NA
10^-ApoviolaxanthalME12473271.821.792.35NA0.000.020.01NA
PA(20:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))ME12482021.771.832.31NA0.030.030.04NA
Methyl pheophorbide bME12473181.691.842.44NA0.010.010.01NA
Coproporphyrin IME12475031.681.842.34NA0.050.030.06NA
isovitexin 7-O-[isoferuloyl]-glucosideME12486501.741.892.35NA0.010.010.00NA
(2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitineME12483421.591.812.35NA0.150.080.01NA
Herbimycin BME12479641.641.742.39NA0.130.040.06NA
Microsporin BME12473151.611.692.38NA0.100.100.11NA
Calyflorenone AME12487311.501.712.54NA0.090.070.09NA
dehydrohistidyltryptophyldiketopiperazineME12474751.561.672.55NA0.050.090.09NA
AllosamidinME12482051.621.732.58NA0.020.030.02NA
Kaempferol 3-(6^^-caffeoylglucosyl)-(1->4)-rhamnosideME12473801.741.752.50NA0.000.000.01NA
ConfluentinME12477191.671.732.47NA0.040.040.06NA
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:1(13Z))ME12482561.651.742.48NA0.030.050.05NA
(3^Z,5^Z)-CelaxanthinME12474661.482.062.43NA0.010.020.01NA
Apo-10^-zeaxanthinalME12477801.422.042.46NA0.020.020.03NA
(3R)-3-hydroxy-12^-apo-beta-carotenalME12478021.481.832.50NA0.010.090.10NA
HaplophytineME12476501.471.892.56NA0.030.030.03NA
cis-11,14,17-Eicosatrienoic acidME12472121.461.792.64NA0.070.020.02NA
SalbostatinME12485901.401.862.64NA0.030.050.02NA
Kaempferol 7-arabinosideME12483911.831.412.48NA0.170.020.09NA
1,3-DimethyluracilME12481261.621.542.52NA0.070.140.11NA
AcyclovirME12480041.741.532.49NA0.060.130.06NA
His-ProME12481451.701.522.51NA0.100.140.03NA
BufalinME12468771.701.402.85NA0.020.020.02NA
Caffeic acid 3-glucosideME12487481.611.602.76NA0.000.010.01NA
SkimminME12485171.531.662.74NA0.020.030.02NA
Glu Trp ValME12487541.631.592.64NA0.060.040.04NA
PGP(i-19:0/20:3(5Z,8Z,14Z)-O(11S,12R))ME12482691.551.532.67NA0.110.060.08NA
Bacopasaponin CME12481121.491.452.71NA0.050.200.09NA
Mogroside IIeME12471771.401.502.71NA0.160.120.11NA
Food orange 7ME12472471.922.002.07NA0.000.000.00NA
Kaempferol 3-rhamnosyl-(1->6)(2^^-p-coumarylglucoside)ME12486301.901.982.07NA0.020.010.02NA
8^-apo-beta-CarotenolME12477111.931.982.01NA0.020.020.03NA
Dehydropachymic acidME12469791.902.001.98NA0.050.040.04NA
AKBAME12471911.842.052.05NA0.010.020.03NA
Taumycin BME12485341.821.982.04NA0.060.050.05NA
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acidME12472631.991.991.82NA0.050.060.09NA
Brachystemidine CME12487021.952.021.89NA0.030.060.04NA
HelicinME12481211.961.981.90NA0.030.080.05NA
Ergosta-4,6,8(14),22-tetraen-3-oneME12476901.922.031.93NA0.020.060.05NA
Galactitol 1-phosphateME12486781.882.041.92NA0.050.040.06NA
DebromosceptrinME12479301.841.971.93NA0.090.100.07NA
Dehydroeburicoic acid monoacetateME12471731.861.971.97NA0.050.060.10NA
GeranylacetoneME12474441.901.891.93NA0.090.090.10NA
GerfelinME12476721.931.951.94NA0.060.040.07NA
MuscanoneME12478341.971.921.95NA0.040.070.05NA
Phaeophorbide bME12483011.922.171.79NA0.040.060.02NA
3-Oxo-4,6-choladien-24-oic acidME12470081.862.091.95NA0.010.050.02NA
NonactinME12484861.902.151.94NA0.000.000.01NA
EsculinME12471991.891.861.82NA0.090.180.17NA
LysoPE(0:0/18:3(9Z,12Z,15Z))ME12482721.901.811.87NA0.100.120.19NA
Indole-3-acetyl-beta-1-D-glucosideME12485532.021.811.88NA0.050.060.18NA
PhillygeninME12469291.971.831.89NA0.050.090.16NA
GlaucarubinME12486652.041.811.81NA0.040.130.17NA
RifabutinME12484712.021.841.82NA0.090.090.14NA
2^-Hydroxygenistein 7-O-(6^^-malonylglucoside)ME12473842.091.921.89NA0.020.030.04NA
Alisol B 23-acetateME12469202.011.971.97NA0.020.020.01NA
1-heptadecylglycerone 3-phosphateME12487372.121.771.89NA0.130.040.05NA
2-Hydroxycampholonic acidME12477172.101.771.87NA0.100.100.06NA
17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-olME12479602.011.871.94NA0.070.070.05NA
Ethyl 3-(methylthio)propionateME12486402.051.811.96NA0.070.080.05NA
4,4^-DiaponeurosporeneME12480271.961.632.05NA0.110.120.14NA
Ilekudinoside KME12476851.921.611.97NA0.120.140.24NA
DL-Mevalonic acidME12478991.861.651.99NA0.050.240.21NA
Sibiricose A5ME12481111.751.661.94NA0.130.230.28NA
(19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-olME12478892.171.471.93NA0.160.120.15NA
4,4^-Diapo-zeta-caroteneME12476892.061.501.98NA0.140.140.18NA
ArjunetinME12469152.061.522.14NA0.090.090.10NA
(S)-Tetraphyllin AME12475252.141.632.02NA0.060.080.08NA
TemozolomideME12481772.151.592.01NA0.110.060.08NA
Glycyrrhetic acid 3-O-beta-D-glucuronideME12469042.071.631.94NA0.120.110.13NA
N-Carbamyl-L-glutamateME12480002.051.721.96NA0.090.100.09NA
Pacificanone AME12473142.051.672.04NA0.080.110.05NA
Lucyoside BME12468842.041.752.13NA0.020.050.02NA
7,8,3^,4^-TetrahydroxyflavoneME12468701.991.732.24NA0.010.010.02NA
Kaempferol-3-O-glucosideME12472982.011.712.25NA0.000.010.01NA
Kaempferol 3-(6G-malonylneohesperidoside)ME12484961.971.552.45NA0.010.020.01NA
nor-Spiculoic acid AME12477242.001.542.36NA0.040.020.03NA
(13S,14S)-epoxymaresinME12473361.831.672.47NA0.000.020.01NA
AlbonoursinME12475191.941.692.34NA0.010.010.01NA
Estradiol 17beta-cyclopentylpropionateME12476221.911.682.35NA0.010.030.02NA
LurasidoneME12479061.901.682.36NA0.010.030.02NA
11-Methoxyopposit-4(15)-en-1beta-olME12476561.901.542.21NA0.090.140.12NA
Papuaforin DME12476861.921.572.22NA0.100.080.11NA
11beta-HydroxyprogesteroneME12470151.881.672.14NA0.110.080.12NA
FabianineME12474341.861.682.23NA0.090.070.08NA
Leucocyanidin 4^-methylether 3-O-beta-D-galactopyranosideME12486411.761.612.23NA0.130.160.11NA
Ser Asp ArgME12479141.731.702.18NA0.110.190.09NA
Myltaylorione BME12477271.661.782.23NA0.120.100.10NA
beta-CitraurinME12479081.821.802.19NA0.060.060.08NA
Quercetin 3-O-beta-D-(6^^-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranosideME12480911.801.812.22NA0.060.070.05NA
1-Hexadecyl Lysophosphatidic AcidME12478681.741.742.22NA0.120.110.07NA
alpha-HederinME12469881.771.782.24NA0.080.080.06NA
ApocarotenalME12472371.781.752.21NA0.090.090.08NA
10^-Apo-beta-carotenalME12472511.921.912.10NA0.030.030.01NA
Alisol C 23-acetateME12469701.931.832.15NA0.030.030.03NA
tridecane-3,4-dioneME12478061.861.872.15NA0.020.050.04NA
3-O-Acetyl-11-hydroxy-beta-boswellic acidME12471841.831.972.18NA0.010.010.01NA
Methyl pheophorbide aME12484911.782.012.19NA0.010.010.01NA
DihydrofusarubinME12476911.821.922.23NA0.010.010.01NA
Prosaikogenin DME12468721.821.862.26NA0.020.020.02NA
DehydrobisgravillolME12477261.811.792.07NA0.050.130.15NA
Ecliptasaponin AME12480861.821.792.06NA0.100.090.13NA
(2E)-20-hydroxyicos-2-enoic acidME12480541.761.892.07NA0.080.080.12NA
4-Formylsalicylic acidME12477871.831.872.08NA0.060.060.10NA
9-HydroxygeranyllinalolME12474111.841.842.13NA0.040.060.10NA
nor-PlakoteninME12478801.891.852.03NA0.080.080.07NA
bis-(4-hydroxybenzyl)sulfideME12478031.811.882.06NA0.100.090.05NA
Pectenotoxin 7ME12483341.831.862.04NA0.060.110.09NA
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8^-apo-beta,psi-carotenalME12477121.941.751.99NA0.060.100.17NA
Luteolin 4^-methyl ether 7-(6^^-malonylglucoside)ME12473831.881.772.16NA0.050.060.07NA
4-Methylumbelliferyl-beta-D-xylopyranosideME12480791.941.722.13NA0.060.050.10NA
CoumarleucasinME12485841.971.742.08NA0.040.070.11NA
PhyllocoumarinME12476041.971.742.07NA0.070.070.07NA
Picfeltarraenin IAME12469901.662.072.14NA0.020.050.05NA
1,4-DimethylphenanthreneME12486531.582.022.10NA0.110.120.06NA
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dienME12473651.702.002.08NA0.070.060.07NA
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyneME12483961.652.052.04NA0.060.110.10NA
Pachymic acidME12469541.642.012.03NA0.120.100.10NA
9-cis-RetinalME12470201.551.942.18NA0.170.130.04NA
LonchocarpeneME12486171.621.942.18NA0.170.010.07NA
IsoiguesterolME12475491.631.942.22NA0.060.080.08NA
Terephthalic acidME12478091.721.892.18NA0.090.060.06NA
Limazepine DME12486821.662.222.02NA0.060.010.04NA
GitoxinME12484321.692.241.96NA0.030.060.02NA
Viteagnusin DME12474061.702.221.98NA0.050.030.03NA
ClotrimazoleME12485261.742.192.05NA0.010.010.01NA
(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diolME12475611.742.152.03NA0.020.020.04NA
3-Hydroxy-4-(3-methyl-2-butenyl)bibenzylME12477961.762.102.03NA0.030.060.03NA
Remangilone AME12480751.692.132.03NA0.020.060.07NA
Alisol A 24-acetateME12469821.552.272.16NA0.010.010.00NA
DigitoxinME12484831.642.182.18NA0.000.000.00NA
Tarasaponin VIME12480801.532.202.09NA0.080.060.04NA
Methyl dihydrojasmonateME12471321.562.182.04NA0.070.070.09NA
PGP(15:0/14:0)ME12484231.562.152.03NA0.050.090.12NA
AjugolME12469111.582.082.25NA0.030.030.03NA
9-Geranyl-alpha-terpineolME12474131.532.102.20NA0.050.060.06NA
beta-SpringeneME12474191.502.072.16NA0.070.090.11NA
Dictyoquinazol CME12482181.682.071.89NA0.120.080.16NA
PhlebotrichinME12480471.712.001.93NA0.120.130.11NA
6-OxoisoiguesterinME12477251.751.881.91NA0.100.120.23NA
1-18:3-lysoPCME12476511.811.951.85NA0.130.120.16NA
Benzofuran ketoneME12483491.811.921.91NA0.120.140.10NA
L-Ascorbic acid 2-phosphateME12471901.761.911.97NA0.120.120.12NA
5beta-DihydrocortisolME12481361.731.881.93NA0.170.140.16NA
5-Hydroxyhexanoic acidME12477151.741.931.91NA0.200.130.09NA
cis-5,8,11,14,17-Eicosapentaenoic acidME12470991.531.951.97NA0.240.190.12NA
14^-apo-beta-CarotenalME12476241.581.872.04NA0.120.250.14NA
5,10-Dihydroxyfurospinulosine 1ME12476781.641.911.96NA0.110.180.20NA
zinololME12479181.621.952.02NA0.110.150.16NA
N2-Succinyl-L-ornithineME12483831.651.791.84NA0.200.180.33NA
DEHPME12470291.651.801.94NA0.190.220.20NA
ApiopaeonosideME12480881.621.811.94NA0.130.220.28NA
alpha,4-DimethylstyreneME12473761.671.771.94NA0.180.180.25NA
labd-13-en-8alpha-,15 diolME12477691.691.761.94NA0.140.170.30NA
10,13-Dimethyl-11-docosyne-10,13-diolME12480571.701.851.90NA0.200.230.12NA
3-Methoxyestra-1,3,5(10),16-tetraeneME12478561.781.771.98NA0.170.150.14NA
4-MorpholinopyridineME12483851.791.791.92NA0.160.160.18NA
EPIISOPILOTURINEME12482711.811.791.89NA0.140.170.20NA
Artoindonesianin OME12480561.711.791.89NA0.240.150.22NA
Kalii Dehydrographolidi SuccinasME12481231.761.771.82NA0.290.140.22NA
ArctiinME12481351.691.731.85NA0.240.240.26NA
NeocyclonervilasterolME12478911.781.771.85NA0.180.200.21NA
N-MethylflindersineME12480821.761.761.84NA0.220.250.18NA
3,4-Dihydroxybenzeneacetic acidME12472081.671.881.85NA0.100.350.14NA
2-NitroanisoleME12479021.551.781.82NA0.350.250.26NA
Phenylpropiolic acidME12471431.561.841.81NA0.260.270.27NA
3-Hydroxy-L-phenylalanineME12473661.571.871.75NA0.220.350.24NA
AchillamideME12485051.671.861.80NA0.190.250.23NA
Regaloside CME12471831.701.851.72NA0.220.270.24NA
Tazarotenic acidME12485181.781.981.58NA0.240.390.04NA
Kaempferol 3-(6^^-(E)-feruloylglucosyl)-(1->2)-galactosideME12478251.841.871.68NA0.160.160.29NA
DercitamideME12477671.882.011.61NA0.170.170.15NA
NORMETANEPHRINEME12480481.822.011.66NA0.110.230.17NA
cis-7,10,13,16-Docosic acidtraenoic acidME12472061.782.031.58NA0.230.200.18NA
3,7-Dimethyl-2,5-octadiene-1,7-diolME12473631.721.971.65NA0.240.180.25NA
2^-Deoxyinosine-5^-monophosphateME12487521.701.991.62NA0.230.230.22NA
3-MethyldioxyindoleME12476461.672.011.61NA0.240.230.23NA
N-acetylarginineME12471141.652.081.65NA0.060.150.40NA
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-olME12478211.592.161.61NA0.220.180.24NA
HexahydrocurcuminME12481431.572.131.66NA0.210.240.18NA
N,N-DimethylguanosineME12476231.532.201.67NA0.180.270.15NA
3-hydroxy-O,5-dimethyl-L-tyrosineME12479191.642.091.71NA0.170.220.17NA
HistamineME12470311.632.131.78NA0.160.160.14NA
L-AnticapsinME12475761.692.101.76NA0.110.190.16NA
5-Carboxyvanillic acidME12478381.522.021.77NA0.210.190.28NA
3-tert-Butyl-5-methylcatecholME12474901.671.991.78NA0.210.180.17NA
Kadsuphilol LME12486131.621.961.76NA0.210.210.24NA
Ascorbigen AME12487431.462.111.84NA0.250.240.10NA
1-Isothiocyanato-6-(methylsulfinyl)hexaneME12482011.542.051.91NA0.100.160.23NA
Asp-AspME12477341.542.111.92NA0.110.100.21NA
EtimizolME12482191.421.962.10NA0.160.150.19NA
AbafunginME12473311.342.062.26NA0.080.200.07NA
Obtucarbamate AME12480891.352.062.10NA0.160.260.07NA
HydratoperidininME12478791.232.251.95NA0.190.180.20NA
Kobifuranone AME12474431.162.091.95NA0.290.260.25NA
Isoscoparin 2^^-O-ferulateME12479201.242.052.00NA0.220.220.26NA
Timosaponin AIIIME12469811.251.972.00NA0.240.250.30NA
DinexME12487281.251.801.98NA0.230.480.26NA
27-NorcholestanehexolME12481961.121.961.86NA0.350.340.38NA
HydroxyethylflurazepamME12482901.211.741.85NA0.390.380.42NA
LepidissipyroneME12478761.201.761.97NA0.400.360.32NA
5-Hydroxymethyl-4-methyluracilME12482611.361.941.64NA0.370.490.20NA
Prostaglandin E2ME12481321.461.871.91NA0.240.210.32NA
(-)-StephabinamineME12487331.421.941.89NA0.280.230.24NA
N6-Galacturonyl-L-lysineME12482581.331.931.78NA0.320.340.30NA
OvaleneME12485961.451.931.70NA0.300.290.33NA
Daldinone BME12486711.471.811.96NA0.400.250.11NA
16-Heptadecyne-1,2,4-triolME12484501.421.742.04NA0.260.250.28NA
CasuarineME12476131.431.711.92NA0.270.340.32NA
PA(20:1(11Z)/PGF1alpha)ME12483081.481.812.23NA0.190.170.13NA
Dioctyl PhthalateME12473081.601.782.06NA0.170.210.18NA
Avermectin A1b monosaccharideME12479861.521.762.07NA0.200.240.21NA
Quinolactacin AME12475241.551.732.11NA0.210.190.21NA
2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitolME12487291.401.652.13NA0.150.360.31NA
NorfloxacinME12484771.391.602.17NA0.180.440.21NA
Palythoalone BME12477591.401.712.43NA0.150.130.17NA
Oligomycin AME12471781.401.632.36NA0.160.210.24NA
9,10-DihydrophenanthreneME12474911.451.722.24NA0.170.200.22NA
Pibocin BME12485151.481.652.28NA0.150.190.25NA
PI(22:2(13Z,16Z)/PGF1alpha)ME12483241.571.372.36NA0.230.220.25NA
15-HTPEME12475421.821.482.29NA0.180.130.10NA
Makaluvamine AME12484821.691.492.27NA0.220.190.13NA
Caffeic acid 4-O-glucuronideME12483581.551.502.24NA0.200.140.37NA
CelastrolME12484331.581.582.24NA0.230.170.20NA
cyanidin 3-O-beta-D-(p-coumaroyl)-sambubiosideME12478461.661.652.21NA0.160.120.20NA
Ginkgolide CME12475931.681.602.23NA0.090.130.28NA
CassipourolME12478271.541.432.19NA0.450.210.18NA
ManoolME12469911.521.442.12NA0.410.170.34NA
Poricoic acid BME12469551.751.601.90NA0.280.160.31NA
Starch acetateME12484021.791.521.97NA0.200.170.35NA
gamma-TerpineneME12476641.581.532.04NA0.320.260.28NA
4,4^-DiapolycopeneME12480261.631.612.06NA0.230.220.25NA
Okaramine QME12477601.601.592.01NA0.260.250.28NA
Retinoic acidME12470181.601.612.04NA0.270.200.28NA
Podecdysone BME12471871.711.562.09NA0.200.160.27NA
4-HydroxyphenylglyoxylateME12476751.701.702.11NA0.140.140.21NA
Aristolactam IME12469321.681.692.03NA0.200.190.22NA
Spicatolide AME12485411.841.362.04NA0.330.140.29NA
Ser Ser IleME12478721.751.382.01NA0.380.290.20NA
7-Methoxy-1,2,3,4-tetrahydroacridin-9-amineME12482761.681.482.04NA0.260.290.24NA
SagitolME12485131.631.371.99NA0.290.350.38NA
Terezine AME12487561.671.422.01NA0.290.290.32NA
Asp His PheME12486901.241.512.56NA0.160.190.33NA
DrometrizoleME12472451.201.572.22NA0.180.280.55NA
NicotinamideME12471521.181.722.27NA0.230.190.40NA
trichagmalin CME12486611.131.872.30NA0.230.220.25NA
EpoxymicheliolideME12469141.872.191.34NA0.170.200.23NA
QuassinME12468822.102.361.36NA0.070.040.06NA
L-MetanephrineME12487222.032.241.44NA0.120.090.08NA
MalonylglycineME12483601.992.261.33NA0.190.100.13NA
Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-ME12483771.992.281.62NA0.030.050.03NA
Kainic acidME12469981.852.371.63NA0.050.050.05NA
VolkeninME12485701.922.331.58NA0.020.080.07NA
4,7-Dimethoxy-1-vinyl-beta-carbolineME12478551.892.081.62NA0.270.090.05NA
Bourgeanic acidME12484801.942.141.58NA0.110.110.12NA
Isorhamnetin 3-(6^^-malonylglucoside)ME12473822.462.311.15NA0.020.030.03NA
LysoPA(O-18:0/0:0)ME12482112.471.861.46NA0.050.090.08NA
3-O-Caffeoylquinic acid methyl esterME12469732.162.031.46NA0.150.180.03NA
BrassicinME12470722.342.091.29NA0.060.070.16NA
Kaempferol 3-(2^^-feruloylglucosyl)-(1->2)-(6^^-malonylglucoside)ME12479742.362.091.47NA0.020.040.02NA
Riccionidin AME12487192.302.121.46NA0.040.050.03NA
Ricinoleic acidME12471011.182.341.77NA0.220.330.16NA
LotaustralinME12480931.312.261.63NA0.310.290.20NA
MicrominutinME12478511.402.161.58NA0.250.350.25NA
SINAPIC ACID METHYL ETHERME12484461.272.501.37NA0.170.450.24NA
1-Methylestra-1,3,5(10)-triene-3,17beta-diolME12475861.462.361.44NA0.260.210.27NA
D-DopaME12479331.472.381.25NA0.280.280.33NA
Antibiotic KO 7888BME12476061.642.461.45NA0.080.130.24NA
Terezine BME12485911.672.531.51NA0.070.110.10NA
Ervahanine AME12486521.302.551.96NA0.050.050.09NA
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrileME12477091.812.321.74NA0.050.040.04NA
3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dioneME12483751.742.231.76NA0.080.100.09NA
Kuanoniamine DME12473941.732.221.81NA0.050.100.10NA
Pyriferine CME12487531.712.191.79NA0.070.130.10NA
Echinocystic acid 28-O-beta-D-glucosideME12481201.652.361.69NA0.070.070.16NA
(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-olME12475291.552.261.78NA0.140.110.16NA
Geran-8-YL geranME12472791.602.311.81NA0.090.100.08NA
2,6-dimethoxybenzoylsalicylhydrazideME12486931.672.381.89NA0.020.030.00NA
Polyphyllin VIME12481171.602.371.93NA0.020.040.03NA
N-Benzoyl-(2R,3S)-3-phenylisoserineME12480941.462.372.01NA0.030.080.06NA
Rhabdastrellin EME12479511.492.441.97NA0.050.010.03NA
beta-Aspartylaspartic acidME12480961.452.421.79NA0.110.090.14NA
GeranylcitronellolME12472531.562.491.75NA0.050.040.11NA
Kahakamide AME12479661.582.531.80NA0.050.030.01NA
Methyl oleanonateME12470911.211.181.74NA1.040.400.42NA
Crispine AME12486331.391.351.90NA0.560.660.14NA
trans-1,2-DiphenylcyclobutaneME12476391.141.681.90NA0.640.450.20NA
19(E)-18-demethoxygardfloramineME12485110.741.412.11NA0.730.500.52NA
1,2,3-Triazine, 4-phenyl-ME12483680.881.322.32NA0.610.540.34NA
Benzo[c]phenanthren-2-olME12479850.921.302.34NA0.490.440.52NA
Methyl linoleateME12472861.141.212.31NA0.440.490.41NA
4-Methylcatechol 1-glucuronideME12482781.111.072.10NA0.570.660.49NA
Ginsenoside Rg6ME12471821.081.102.26NA0.620.550.38NA
XanthoxylinME12470601.121.541.66NA0.151.170.34NA
BayogeninME12468901.271.111.29NA0.720.461.14NA
DamascenoneME12477711.061.151.28NA0.790.531.18NA
TrachelosideME12481441.460.981.20NA0.630.501.24NA
DehydrorabelomycinME12487421.431.061.38NA0.530.401.20NA
IsocurcumenolME12469691.351.081.43NA0.540.431.16NA
StypandrolME12478961.391.521.56NA0.160.221.15NA
3^,4^-Methylenedioxy-[2^^,3^^:7,8]furanoflavanoneME12487241.331.301.48NA0.260.431.20NA
DalspininME12485311.371.131.35NA0.260.591.31NA
Dysinosin DME12477611.271.371.76NA0.520.350.72NA
spinosyn macrolactoneME12473261.201.411.74NA0.750.280.61NA
Jujuboside BME12470571.431.561.60NA0.350.290.78NA
CurcumolME12469521.481.271.70NA0.370.420.75NA
Vanillic acid 4-beta-D-glucosideME12484051.541.301.52NA0.420.390.83NA
CADALENEME12474421.601.211.78NA0.430.460.52NA
EvodiamineME12481181.661.241.62NA0.480.480.52NA
cis-4,7,10,13,16-Docosapentaenoic acidME12472071.361.171.85NA0.580.460.58NA
Eicosanedioic acidME12486101.501.351.85NA0.420.440.45NA
2-Aminoheptanedioic acidME12478081.421.371.81NA0.450.400.56NA
Ganoderic acid GME12480951.411.501.78NA0.360.410.54NA
SuberenoneME12477001.421.431.72NA0.420.460.56NA
HypusineME12472711.391.471.64NA0.350.510.63NA
(-)-Ixerin JME12476671.301.341.71NA0.490.540.61NA
ClocinnamoxME12482151.551.411.96NA0.190.230.65NA
ResibufogeninME12469071.441.531.89NA0.240.300.61NA
MG(0:0/20:3(5Z,8Z,11Z)/0:0)ME12482141.291.462.14NA0.390.360.36NA
2-O-Acetyl-trans-coutaric acidME12472741.261.412.02NA0.290.480.55NA
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-olME12485551.361.311.93NA0.520.410.47NA
(5Z,8Z)-1,5,8-HeptadecatrieneME12472771.261.391.99NA0.440.430.48NA
1-NaphthalenemethanolME12471981.191.681.68NA0.520.360.58NA
N-Fructosyl tyrosineME12484561.331.631.81NA0.240.440.55NA
(+)-Vulgraon BME12474851.341.661.79NA0.390.350.47NA
3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dioneME12478691.231.561.85NA0.400.330.63NA
7-O-(6-sinapoylglucosyl)isovitexinME12487681.141.541.96NA0.490.400.48NA
Nortricycloekasantalic acidME12474891.151.371.87NA0.470.680.46NA
IndospicineME12487581.271.411.68NA0.470.760.41NA
N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamineME12482461.151.491.65NA0.510.750.45NA
DeoxyloganinME12486701.241.271.80NA0.320.710.65NA
minocyclineME12484921.311.461.65NA0.290.760.53NA
HerkesteroneME12475941.091.741.49NA0.600.570.52NA
5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xylosideME12487941.011.451.48NA0.610.960.49NA
GigasolME12486261.051.431.62NA0.780.710.41NA
7,4^-Di-O-methylapigeninME12470041.861.511.03NA0.300.360.95NA
4^^-DeoxyterphenyllinME12474021.681.601.25NA0.370.430.66NA
8-Azabicyclo[3.2.1]octaneME12483441.721.501.38NA0.320.390.68NA
DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0)ME12482531.431.021.46NA0.840.560.70NA
1-MethylinosineME12481641.441.221.42NA0.830.470.61NA
Haploside AME12478831.461.141.55NA0.830.450.56NA
Cinnamic acidME12471051.681.151.38NA0.630.610.56NA
AilanthoneME12481001.571.271.48NA0.660.380.64NA
MuscarineME12472001.631.151.54NA0.650.490.54NA
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetateME12485471.541.131.53NA0.610.560.62NA
(+/-)-Abscisic acidME12468921.481.171.57NA0.610.480.69NA
2-Oleoyl-sn-glycero-3-phosphocholineME12473201.491.241.36NA0.540.700.68NA
Ponganone VIME12475591.501.201.36NA0.560.700.67NA
beta-D-Glucopyranosyl abscisateME12481011.451.271.42NA0.440.650.76NA
IsopropalinME12487611.481.261.32NA0.510.620.80NA
Pteroside QME12485121.401.401.35NA0.470.590.78NA
3,6,9-Trihydroxy-4-megastigmeneME12476101.471.431.25NA0.580.590.69NA
3-Phenyl-1H-pyrazole-4-carbaldehydeME12482981.391.431.32NA0.540.630.70NA
o-BenzoquinoneME12476161.431.511.31NA0.490.580.68NA
PhensuximideME12477311.371.601.27NA0.520.570.67NA
Betuletol 3-glucosideME12476181.481.541.17NA0.580.580.64NA
NepodinME12469251.481.551.16NA0.580.530.70NA
Indole-3-carboxylic acidME12481681.611.481.28NA0.420.660.57NA
L-TryptophanME12471661.631.441.25NA0.430.680.57NA
Guanidoacetic acidME12481541.661.391.22NA0.450.700.58NA
Indoleacrylic acidME12471021.631.411.21NA0.440.710.60NA
Indole-3-carboxaldehydeME12471471.571.461.23NA0.420.720.59NA
Indolelactic acidME12471031.591.421.22NA0.450.730.59NA
Uridine 5^-monophosphateME12481741.451.451.13NA0.510.800.66NA
3-MethylindoleME12471511.511.361.16NA0.510.730.72NA
PHOSPHOCHOLINEME12484751.501.311.28NA0.490.710.72NA
L-PyrrolysineME12485331.601.381.23NA0.640.680.46NA
MalonylglycitinME12473851.451.461.14NA0.680.770.50NA
Plakinic acid FME12486951.461.461.09NA0.710.670.61NA
ChichipegeninME12477621.581.411.04NA0.690.470.80NA
HeptuloseME12481831.581.431.12NA0.720.500.66NA
NorsecoswartzianinME12474821.541.251.23NA0.650.640.68NA
MatairesinolME12470121.581.271.03NA0.700.700.72NA
PosoqueninME12486181.631.281.08NA0.600.700.71NA
GlutarateME12478101.171.451.56NA0.650.530.64NA
Plastoquinone-1ME12474401.131.441.48NA0.670.580.70NA
selenoneineME12485561.231.501.50NA0.680.410.68NA
Planaic acidME12484781.291.491.40NA0.590.580.65NA
4-Isopropyl-2-methylphenolME12474961.261.471.48NA0.630.520.65NA
agrocinopine BME12485421.271.531.40NA0.660.490.63NA
2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecaneME12474051.211.351.42NA0.500.710.81NA
3,4-Methylenedioxymandelic acidME12478131.301.411.45NA0.540.560.74NA
DithiobiuretME12484131.301.311.53NA0.560.580.73NA
Linarionoside AME12474711.361.331.45NA0.600.590.66NA
Cyrmenin AME12486221.281.341.50NA0.750.510.62NA
(Z)-2-octylpent-2-enedioic acidME12484431.231.391.57NA0.800.460.54NA
3alpha,6alpha-Dihydroxy-5beta-pregnan-20-oneME12480181.281.331.60NA0.740.610.44NA
2,6-DimethylbenzenethiolME12483511.351.461.58NA0.630.500.48NA
TrigonellineME12470011.321.461.56NA0.670.500.50NA
HirsutinME12481761.361.571.46NA0.540.580.49NA
XanthineME12476481.251.591.50NA0.600.630.43NA
Delta(1,7)-dafachronic acidME12480591.381.421.47NA0.570.600.56NA
RiboflavinME12470221.351.381.53NA0.560.730.45NA
Sarcophyton polyhydroxysterolME12473221.401.341.45NA0.560.720.54NA
MG(20:2(11Z,14Z)/0:0/0:0)ME12482741.431.561.60NA0.550.510.35NA
4-DeoxypyridoxineME12475111.311.641.57NA0.490.490.50NA
4-CoumaroylshikimateME12476691.361.711.61NA0.360.450.51NA
Adenine monohydrochloride hemihydrateME12469001.401.651.59NA0.420.520.42NA
Brachystemidine BME12485061.401.631.61NA0.370.570.42NA
6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acidME12480531.491.621.35NA0.610.500.44NA
GeijerenME12473711.431.521.48NA0.570.420.58NA
GuanabenzME12482071.461.491.39NA0.540.530.59NA
LamoxireneME12473701.391.551.39NA0.560.510.60NA
1-Anilino-9,10-dioxo-2-anthroic acidME12487801.511.341.45NA0.590.510.59NA
1-Hydroxy-2-naphthoateME12478171.391.381.57NA0.530.470.66NA
8^-Epicleomiscosin AME12479811.451.451.52NA0.510.500.56NA
N-NitrosoprolineME12479921.441.381.57NA0.560.480.56NA
Bisabolol oxide AME12469361.651.441.56NA0.460.360.52NA
AsperulosideME12469961.681.401.34NA0.560.450.57NA
Cratoxyarborequinone AME12486391.631.451.44NA0.480.480.53NA
HydroxytyrosolME12476631.551.441.46NA0.510.500.54NA
Hydroxyprolyl-AsparagineME12483791.641.321.61NA0.370.600.46NA
O-DesmethylnaproxenME12477321.601.411.53NA0.290.690.48NA
Astragaloside VME12487161.371.491.53NA0.410.670.52NA
(19R,23E)-5beta,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3beta-olME12480381.481.481.58NA0.430.560.47NA
6-Guanidino-2-oxocaproic acidME12482621.541.441.54NA0.410.670.40NA
1-NitroaknadinineME12486691.601.581.30NA0.290.730.50NA
2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-oneME12484011.531.671.42NA0.370.590.42NA
Regaloside AME12468971.581.561.37NA0.330.580.58NA
AndrachcineME12478281.601.551.44NA0.380.530.51NA
gamma-L-Glutamyl-S-(1-propenyl)-cysteine sulfoxideME12482171.661.561.46NA0.380.490.46NA
Garcinielliptone FAME12479681.542.031.55NA0.400.250.23NA
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-15:0)ME12481931.621.941.36NA0.450.320.30NA
1-(2-Thienyl)-1-butanoneME12483691.501.971.41NA0.480.340.31NA
Ecliptasaponin DME12468741.472.081.34NA0.490.340.28NA
SaccharopineME12472871.311.751.42NA0.190.800.52NA
DifloxacinME12486621.232.071.33NA0.470.440.46NA
coniferonic acidME12474161.191.891.48NA0.400.420.61NA
7-DehydrocholesterolME12470331.261.971.48NA0.320.540.43NA
IrbesartanME12484901.241.971.40NA0.180.610.60NA
Zeatin ribosideME12481661.531.871.41NA0.330.430.42NA
alpha-Linolenoyl EthanolamideME12473391.441.771.48NA0.390.500.43NA
LysoPS(18:2(9Z,12Z)/0:0)ME12483051.371.811.49NA0.320.490.53NA
L-2-aminodecanoateME12487271.501.881.55NA0.150.540.38NA
PIRFENIDONEME12485691.491.851.37NA0.260.640.39NA
Revandchinone 1ME12478331.611.911.22NA0.420.490.36NA
SuccinyladenosineME12473301.381.821.27NA0.450.570.51NA
DinactinME12484851.611.661.53NA0.240.700.26NA
CircinamideME12486661.851.431.55NA0.400.540.23NA
secobarbitalME12487701.891.321.52NA0.420.680.17NA
Kaempferol 3-(6^^-malonylglucoside)-7-glucosideME12486121.971.251.64NA0.440.330.36NA
Gly Arg TyrME12477101.771.341.66NA0.240.400.59NA
2-linoleoyllysophosphatidylcholineME12473211.811.531.57NA0.280.380.43NA
LysoPC(18:2(9Z,12Z)/0:0)ME12472351.801.511.52NA0.280.380.52NA
Indicanine CME12477221.891.391.68NA0.260.400.38NA
IsobiflorinME12486201.851.441.74NA0.230.380.36NA
Phlomistetraol AME12475571.881.401.55NA0.330.390.45NA
(22E)-Cholesta-4,6,8(14),22-tetraen-3-oneME12477821.931.371.62NA0.380.300.41NA
Kaempferol 3-caffeylsophorosideME12487551.931.431.59NA0.340.330.37NA
19-DemethylreblastatinME12486251.611.401.85NA0.610.350.18NA
GypsogeninME12468711.741.341.65NA0.660.320.28NA
Phycomysterol AME12476011.791.341.67NA0.420.370.40NA
Glu-Leu-Phe-AlaME12486291.711.471.68NA0.520.320.29NA
SophoricosideME12469471.771.441.62NA0.470.400.30NA
Orthosphenic acidME12473871.571.541.66NA0.350.450.43NA
SpermidineME12471551.611.641.68NA0.310.310.45NA
4-PropylphenolME12473741.581.641.61NA0.330.390.44NA
7-Hydroxy-6-methylhepta-3,5-dienalME12475681.651.591.59NA0.380.370.42NA
N1-methyladenosineME12471291.651.611.62NA0.340.390.39NA
2,5-DihydroxybenzaldehydeME12472151.461.671.75NA0.360.380.37NA
Goyaglycoside aME12481921.511.641.69NA0.430.390.34NA
AspartylhydroxyprolineME12482411.471.601.65NA0.420.340.52NA
Physalin VME12485771.481.611.65NA0.330.420.51NA
Xanthurenic acidME12471501.461.631.73NA0.330.380.47NA
Kaempferol 3-(6^^-ferulylglucoside)ME12473811.651.631.91NA0.260.260.29NA
ACENAPHTHYLENEME12486351.601.651.82NA0.260.300.37NA
Ilekudinol AME12476191.671.661.81NA0.240.340.29NA
PanaxatriolME12468941.681.681.76NA0.360.260.25NA
trans-Ferulic acidME12471221.721.701.66NA0.280.340.30NA
Hyacinthacine C1ME12485791.561.771.62NA0.240.470.34NA
2^-Deoxymugineic acidME12486061.571.701.72NA0.280.430.30NA
CastanospermineME12481031.611.671.73NA0.270.430.29NA
(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinateME12478071.511.791.64NA0.430.430.20NA
4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenolME12484411.571.711.75NA0.380.390.21NA
Guavacoumaric acidME12485521.561.701.75NA0.420.350.22NA
Sicanatriol 7beta,18-diacetateME12486211.491.571.88NA0.500.210.36NA
beta-DamasconeME12470811.671.491.83NA0.410.250.35NA
Huperzine WME12485651.801.431.84NA0.380.220.32NA
Ganoderic acid WME12487921.651.431.72NA0.390.380.43NA
Naringenin chalconeME12470411.631.441.74NA0.350.410.43NA
8-O-TigloyldiderrosideME12487211.511.481.91NA0.360.350.39NA
IsoalantolactoneME12470171.611.451.88NA0.350.280.44NA
Litsenolide C1ME12479411.601.511.90NA0.310.310.36NA
MersicarpineME12479631.701.651.62NA0.280.200.54NA
Plakorsin BME12484941.591.761.48NA0.380.370.42NA
Anhydrovitamin A1ME12476301.741.721.41NA0.370.350.41NA
Kukoamine BME12472031.681.751.46NA0.340.310.46NA
4^-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanoneME12472491.591.851.57NA0.260.300.43NA
9-cis retinolME12475271.711.851.52NA0.250.350.31NA
TrixagotriolME12474741.711.801.49NA0.320.320.35NA
BavachalconeME12469741.871.821.36NA0.360.210.39NA
Methylene diphosphateME12484031.971.661.30NA0.350.370.35NA
MompainME12486771.931.691.48NA0.110.480.31NA
19-norcholesta-1,3,5(10)-trien-3-olME12486671.781.561.46NA0.420.470.31NA
3-MethylguanineME12479951.841.661.47NA0.290.460.28NA
DehydroeffusolME12478292.141.230.57NA0.600.411.05NA
10-DeacetoxybarbilycopodinME12473342.081.530.76NA0.560.680.39NA
6,7,8-TrihydroxycoumarinME12476602.051.760.70NA0.450.520.53NA
Ne,Ne dimethyllysineME12483561.771.690.95NA0.470.790.33NA
Incensole AcetateME12469131.831.491.05NA0.550.510.58NA
Quillaic acidME12469631.631.630.80NA0.670.610.66NA
HippeastidineME12485891.990.731.11NA0.740.930.50NA
Hex-trans-3-en-1-olME12472271.580.991.26NA0.780.800.59NA
Lys Ile SerME12479391.680.901.08NA0.850.880.61NA
Leu-Asp-GlyME12480661.641.161.23NA0.850.660.46NA
Methionyl-AspartateME12483591.791.111.18NA0.640.730.55NA
ObtusifolinME12470531.831.011.19NA0.790.720.46NA
AnserineME12481702.021.041.02NA0.870.730.33NA
ArginylglutamineME12482282.101.241.07NA0.550.700.34NA
Val ArgME12480641.861.330.97NA0.670.720.45NA
Leu LysME12475831.801.211.10NA0.660.770.46NA
Prolyl-ArginineME12483371.891.231.07NA0.600.730.48NA
Pinoresinol DiglucosideME12481072.151.041.06NA0.600.170.97NA
Zhankuic Acid A Methyl EsterME12478162.161.161.02NA0.420.540.70NA
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-oneME12474041.711.230.91NA0.600.590.97NA
Ovalitenin AME12476291.831.330.86NA0.570.540.87NA
3,6-DihydrochamazuleneME12474471.851.191.10NA0.650.500.72NA
Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide]ME12484081.911.111.08NA0.620.620.67NA
Erythroxyloside BME12485681.901.161.10NA0.540.470.83NA
SauchinoneME12480841.781.241.12NA0.610.410.84NA
Glycyrrhizic AcidME12472911.652.280.68NA0.280.470.64NA
N-Methylethanolamine phosphateME12485081.792.010.66NA0.220.700.64NA
deoxycarnitineME12481581.412.030.69NA0.610.650.60NA
ThymineME12477881.372.141.00NA0.390.690.41NA
FerutininME12469312.671.811.15NA0.050.110.22NA
IsorhamnetinME12470232.431.990.98NA0.230.180.19NA
FraxinelloneME12469302.022.390.98NA0.190.180.24NA
Tamarixetin 3-galactosideME12478822.262.090.81NA0.230.170.44NA
4,4^-(2-Methylpropylidene)bisphenolME12476571.972.090.98NA0.220.310.42NA
Parahigginic acidME12475631.982.150.77NA0.320.220.56NA
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))ME12475011.322.620.33NA0.630.800.30NA
(R)-1-O-b-D-glucopyranosyl-1,3-octanediolME12481860.702.910.60NA0.580.660.55NA
(E/Z)-Ginkgolic acid C17:2ME12471861.102.811.55NA0.180.140.22NA
2,8-DihydroxyadenineME12482261.372.680.95NA0.390.410.19NA
L-ProlineME12471621.122.671.08NA0.370.440.31NA
TaraxasterolME12481221.021.661.27NA0.950.290.82NA
CysteinylglycineME12472100.692.191.76NA0.460.590.32NA
LamiolME12486810.992.271.55NA0.600.440.16NA
Linoleamide MEAME12474010.891.930.99NA0.820.630.74NA
dAME12473000.972.221.37NA0.430.560.45NA
(+/-)-DihydroactinidiolideME12481460.922.241.26NA0.440.630.51NA
PenidienoneME12474870.972.091.20NA0.600.400.74NA
Ritalinic acidME12473051.142.011.15NA0.650.590.46NA
LysylvalineME12482650.330.210.14NA1.000.663.67NA
N1,N8-DiacetylspermidineME12483550.290.320.33NA0.990.493.59NA
Asiatic acidME12469490.010.010.01NA0.351.723.91NA
3,5,6-Trimethoxy-3^,4^-methylene-dioxyfurano[2^^,3^^:7,8]flavanoneME12485950.140.220.26NA0.441.093.86NA
CajaisoflavoneME12487880.060.070.10NA0.681.233.86NA
Phelligridin FME12473880.040.040.02NA0.821.123.96NA
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acidME12472390.100.210.35NA1.611.222.50NA
Ethyl pivaloylacetateME12480870.240.280.25NA1.641.282.32NA
His Leu GlnME12477630.320.300.35NA1.511.232.29NA
2^-DeoxycytidineME12481610.240.430.23NA1.361.402.34NA
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acidME12484350.240.280.19NA1.521.372.40NA
9(S)-HODEME12474120.180.370.15NA1.431.342.53NA
octahydropyrrolo[1,2-a]pyrimidineME12474620.220.300.17NA1.471.302.53NA
ArtemetherME12470390.080.100.11NA2.090.982.65NA
2-Pyrocatechuic acidME12471210.100.070.05NA1.961.292.53NA
IsoeleutherinME12468890.110.160.15NA1.951.282.35NA
GuanethidineME12480010.010.010.01NA1.431.083.47NA
(-)-BestatinME12480550.330.330.09NA1.491.002.77NA
SecoisoodorinolME12479400.060.230.17NA1.501.232.81NA
Artonin PME12485290.050.020.03NA1.801.232.87NA
4^-Hydroxy-2,4-dimethoxychalconeME12468990.050.040.10NA1.740.963.11NA
5-Methoxyxanthocercin AME12478450.120.090.12NA1.521.043.11NA
Ganoderic acid DMME12470900.330.260.20NA0.361.783.07NA
Vielanin AME12477130.110.220.19NA0.281.933.25NA
3,4-Dihydroxyhydrocinnamic acidME12471490.150.230.15NA0.721.673.08NA
7-Acetoxy-5,6-dimethoxycoumarinME12477770.060.040.04NA0.751.913.20NA
7-KetocholesterolME12479210.250.160.44NA0.801.253.10NA
3^,4^,7-TrimethoxyquercetinME12481130.300.430.40NA0.701.013.16NA
ColutehydroquinoneME12468980.210.430.31NA0.941.033.07NA
GuanadrelME12479440.150.280.24NA0.981.143.21NA
Lys Pro HisME12478780.370.350.40NA1.280.852.75NA
Picramnioside EME12478470.540.210.45NA0.931.252.62NA
Sulindac sulfideME12481390.330.280.33NA1.031.172.85NA
EupatorinME12470510.050.040.07NA1.111.703.03NA
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)ME12472890.070.190.18NA1.301.552.71NA
2-O-Acetyl-20-hydroxyecdysoneME12480920.160.130.10NA1.201.542.86NA
AICA-ribosideME12484610.120.140.09NA1.311.482.87NA
PA(10:0/10:0(3-OH))ME12484220.240.170.27NA1.191.552.58NA
Thalidomide-5-OHME12471950.220.240.30NA1.001.652.60NA
PersicogeninME12469080.310.330.34NA0.831.492.69NA
DilatrinME12487720.390.250.33NA0.781.772.50NA
HexosylsphingosineME12482820.380.280.36NA0.791.632.55NA
Wilforlide AME12469990.430.290.40NA0.791.562.54NA
BouchardatineME12486310.240.570.15NA1.922.650.48NA
Pseudolaric Acid CME12480830.060.070.07NA0.093.052.65NA
AcetylagmatineME12485200.350.310.52NA0.972.161.69NA
SuberosolME12478900.410.540.58NA0.722.121.63NA
alpha-Boswellic acidME12469430.240.270.21NA0.872.302.11NA
Madecassic acidME12469510.060.050.09NA0.802.542.46NA
BancroftinoneME12470520.480.530.67NA0.453.150.71NA
Afzelechin 5,4^-dimethyl etherME12476790.450.550.40NA0.812.531.26NA
3-methylglutaconateME12481590.420.460.60NA0.742.761.02NA
Ganoderenic acid BME12472010.260.510.55NA0.802.791.10NA
24(28)-DehydroergosterolME12477640.150.340.14NA0.813.291.27NA
PA(8:0/i-12:0)ME12482470.050.010.07NA0.923.671.29NA
GymnemageninME12469840.070.080.07NA1.113.151.51NA
Scutellarein tetramethyl etherME12470730.030.030.02NA1.433.131.35NA
Alisol AME12469710.050.060.04NA0.803.181.87NA
Soyasapogenol BME12470880.210.220.19NA0.902.611.87NA
CalcidiolME12471370.190.170.09NA0.942.871.75NA
Ganoderol BME12470580.070.060.05NA1.152.871.80NA
Deisobutyryl bakkenolide HME12479270.241.830.70NA2.000.520.71NA
Pseudoginsenoside RT1ME12480760.730.560.76NA2.590.420.94NA
Tetracentronside AME12486470.710.421.23NA0.790.502.35NA
Praeruptorin EME12480780.650.800.74NA0.650.622.56NA
4^-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2,6-octadienyl]isoflavoneME12480400.990.791.03NA0.380.212.60NA
Turraflorin GME12485400.770.821.11NA0.450.302.55NA
2,3,9-TrimethoxypterocarpanME12485511.350.911.60NA0.140.151.84NA
3-(4-Hydroxyphenyl)propionic acidME12471070.910.731.15NA0.680.601.93NA
Sinapyl alcoholME12470650.920.751.18NA0.450.522.18NA
GuaiazuleneME12470190.990.971.18NA0.630.551.68NA
IsomucronulatolME12469051.070.911.31NA0.380.461.87NA
AdriadysiolideME12477781.070.881.37NA0.410.351.93NA
TropoloneME12470671.060.861.34NA0.440.371.93NA
Astragaloside IIME12469450.020.030.02NA2.192.161.59NA
LactiflorinME12468910.060.070.04NA2.232.131.46NA
10-GingerolME12470440.060.060.10NA2.092.381.30NA
6-O-Methylscorzocreticoside IME12477790.020.030.02NA2.172.341.43NA
3-hydroxy-3-methylglutarateME12472090.120.170.10NA2.282.311.03NA
D-PinitolME12471480.100.190.05NA2.351.991.31NA
MetallibureME12482100.090.110.05NA2.342.181.22NA
SenecionineME12484680.240.210.37NA2.371.611.21NA
3^-MethoxyflavonolME12468950.170.160.15NA2.381.821.32NA
AlconilME12482270.160.160.22NA2.411.711.34NA
2^-O-MethylisoliquiritigeninME12470590.130.170.13NA2.351.611.61NA
Yunngnin AME12478150.130.320.07NA2.351.591.55NA
D-(+)-MelezitoseME12470000.060.080.06NA2.661.621.52NA
Formononetin 7-O-glucoside-6^^-O-malonateME12475950.050.050.03NA2.521.861.49NA
3-MethylmuconolactoneME12476620.010.010.01NA2.311.791.87NA
Cyclic N-Acetyl-D-mannosamineME12472130.020.010.01NA2.401.581.98NA
Dibutyl maleateME12469230.210.150.19NA2.271.152.02NA
DihydroartemisininME12469260.240.250.30NA2.301.111.80NA
Methyl 2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetateME12469020.120.150.10NA2.431.341.86NA
5,8-Dihydroxy-14-nor-7-marasmanoneME12476340.090.050.06NA2.491.381.93NA
OxysophocarpineME12468870.080.070.14NA2.461.341.91NA
TributyrinME12481380.100.120.14NA2.151.292.19NA
Cucumegastigmane IME12478140.160.180.20NA2.201.361.90NA
N-alpha-Acetyl-L-ornithineME12479620.260.170.24NA2.121.301.91NA
23-Norcholic acidME12481710.140.130.07NA2.181.422.05NA
UvaolME12470340.120.130.12NA2.151.521.94NA
Pro Pro ArgME12487900.120.090.09NA2.321.362.02NA
Tris(butoxyethyl)phosphateME12485970.060.160.15NA2.291.431.92NA
CyclogalegeninME12469640.040.040.03NA1.812.501.58NA
Integracin CME12475550.030.050.08NA1.732.511.61NA
Barringtogenol CME12479500.020.040.09NA1.522.661.66NA
MurraculatinME12477460.110.090.11NA1.582.481.64NA
Pisumsaponin IIME12473790.040.030.04NA1.861.912.11NA
1h,8h-Pyrano[3,4-c]pyran-1,8-dioneME12472290.080.030.08NA1.971.832.01NA
D-Alanyl-D-serineME12479980.040.030.04NA1.931.932.03NA
LysoPA(i-22:0/0:0)ME12483040.060.040.04NA1.951.882.04NA
4,6-O-Ethylidene-alpha-D-glucoseME12481300.070.050.02NA1.862.011.99NA
5^-methoxyhydnocarpin-DME12484970.090.080.09NA1.831.902.00NA
BakankosideME12485140.050.080.11NA1.781.932.05NA
cis-AcetylacrylateME12479900.120.110.08NA1.961.771.96NA
Cyaonoside BME12468850.100.100.09NA1.931.871.93NA
Leptofuranin DME12486980.060.150.16NA1.821.752.06NA
CerasidinME12479760.160.180.11NA1.811.732.03NA
11-Keto-beta-boswellic acidME12470560.140.140.10NA1.851.791.98NA
Diacetoxy-6-gingerdiolME12481190.160.130.13NA1.861.791.93NA
Puerarin 6^^-O-XylosideME12481040.010.020.01NA2.051.941.97NA
ophiocordinME12484310.020.010.02NA2.051.912.00NA
PropanoylagmatineME12487120.010.010.01NA2.061.892.01NA
21-HydroxypregnenoloneME12470280.040.030.03NA2.111.871.92NA
4-Methyl-3-oxoadipate-enol-lactoneME12479930.040.050.02NA2.121.851.91NA
4-Methyl-3-oxoadipateME12476610.010.010.01NA2.171.831.98NA
Sandosaponin AME12480730.010.010.00NA2.191.851.94NA
Puerarin xylosideME12480320.010.020.01NA2.042.091.84NA
5,5^-DehydrodivanillateME12485920.040.020.04NA2.052.021.84NA
Isoastragaloside IIME12480370.020.010.02NA2.092.041.82NA
Indocarbazostatin DME12480500.010.020.01NA2.062.051.84NA
NeoglycyrolME12470830.020.030.01NA2.072.021.84NA
Corosolic acidME12470370.110.060.16NA1.981.901.80NA
Rubuside HME12476170.080.040.07NA1.991.931.89NA
(11Z)-8,18-methano-retinalME12475300.080.060.06NA1.981.981.84NA
Isoferuloyl C1-glucuronideME12482850.080.080.08NA2.001.981.78NA
EnfumafunginME12469380.310.050.07NA1.982.071.53NA
SesamolME12474580.180.150.12NA1.752.211.59NA
PanthenolME12471340.190.170.16NA1.912.031.53NA
Pictoside AME12479480.210.140.20NA1.832.081.53NA
Betaenone DME12475920.090.120.19NA1.842.021.74NA
Nervosanin AME12480220.150.160.22NA1.861.871.74NA
Coniochaeton AME12478600.160.120.12NA1.901.901.80NA
Thonningine BME12480410.160.180.14NA1.911.911.71NA
ChlorogenoquinoneME12482730.120.150.13NA1.971.921.71NA
luteolin 7-O-beta-D-glucoside-4^-(Z-2-methyl-2-butenoate)ME12487870.130.130.15NA1.931.951.72NA
Sinapic acid ethyl esterME12486440.040.050.07NA1.802.231.81NA
ApiinME12486140.060.060.08NA1.922.171.71NA
MethylnissolinME12470780.090.080.09NA2.012.071.67NA
Hydroxyprolyl-ValineME12472590.250.170.26NA1.961.921.44NA
LysidicichinME12485280.120.240.27NA2.001.961.40NA
H-Val-Met-OHME12473590.270.160.11NA2.101.921.44NA
Thielavin BME12485780.230.250.06NA2.091.801.58NA
21-O-MethyltoosendanpentolME12479610.180.220.16NA2.051.851.54NA
Methyl pyroglutamateME12473730.180.190.19NA1.951.931.57NA
Bacoside A3ME12480900.090.070.22NA2.231.871.53NA
Ochratoxin betaME12478520.100.120.04NA2.201.951.59NA
Isoastragaloside IME12469170.070.110.08NA2.151.851.74NA
S-Methyl-methionineME12473020.120.150.11NA2.091.821.70NA
5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitineME12483000.010.010.00NA2.041.672.28NA
Methyl NicotinateME12471460.010.010.02NA2.121.572.26NA
4-MethylumbelliferoneME12473670.040.070.06NA1.761.792.28NA
seco-plakortolide KME12479360.010.010.01NA1.781.852.34NA
Avermectin B1b monosaccharideME12480350.010.020.01NA1.761.952.24NA
trans-2-Octenoic acidME12475080.020.020.01NA1.661.972.32NA
OctanedioylcarnitineME12482000.150.200.13NA1.571.542.41NA
undec-10-enoylcarnitineME12481890.060.110.17NA1.791.682.19NA
Caloxanthone DME12487890.150.160.19NA1.711.582.21NA
His Gln GlyME12477680.150.120.14NA1.831.562.19NA
GlycerylmonooleateME12483120.030.100.02NA1.901.562.39NA
PA(i-13:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))ME12481870.090.130.08NA1.691.612.40NA
Brefeldin AME12469480.100.090.13NA1.761.582.33NA
Lanceolatin CME12485360.110.060.06NA1.751.662.36NA
3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrileME12483730.250.140.13NA1.331.972.18NA
C-2 CeramideME12487340.110.100.10NA1.262.112.31NA
Ciwujianoside D2ME12480630.140.130.05NA1.491.862.33NA
beta-Elemonic acidME12470130.160.180.15NA1.291.802.42NA
Bisphenol A bis(2-hydroxyethyl)etherME12486580.240.290.16NA1.341.742.23NA
N-(3-O-phospho-D-ribulosyl)-cadaverineME12484290.120.240.18NA1.461.692.31NA
N-Methyl-2-oxoglutaramateME12487400.210.240.27NA1.432.111.74NA
3-Epiursolic AcidME12469670.240.250.30NA1.242.101.88NA
KifunensineME12469770.170.240.38NA1.242.081.88NA
PanaxadiolME12469920.050.040.15NA1.762.071.93NA
His Lys LeuME12485630.110.140.06NA1.612.082.00NA
Polyphyllin IME12481020.090.080.09NA1.702.022.03NA
4^-DemethylepipodophyllotoxinME12478000.160.140.16NA1.452.141.94NA
NeurodazineME12485740.160.170.13NA1.532.121.89NA
(20S)-ProtopanaxadiolME12469890.110.160.08NA1.532.311.82NA
Toonaciliatin AME12478320.130.090.08NA1.632.211.85NA
MalonyldaidzinME12477900.160.200.15NA1.601.961.93NA
(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-olME12474680.240.230.19NA1.711.761.87NA
Isoliquiritin apiosideME12469950.150.230.16NA1.751.761.95NA
N-Linoleoyl Glutamic acidME12482930.170.210.18NA1.681.781.98NA
Moracin PME12479010.180.220.11NA1.691.831.97NA
Spinasaponin AME12480360.180.190.12NA1.671.901.93NA
Nalpha-MethylhistidineME12479960.170.240.19NA1.761.901.74NA
Pterodontoside HME12476760.160.170.25NA1.771.821.83NA
Ganoderiol FME12469830.220.180.17NA1.721.891.83NA
Rubuside EME12479490.190.140.23NA1.651.891.90NA
GlutaminylhydroxyprolineME12472540.380.250.22NA1.371.801.99NA
Asparaginyl-LysineME12482570.340.190.24NA1.591.671.97NA
Hapalindole GME12487200.250.170.35NA1.501.702.02NA
Maltol 6^-O-beta-D-apiofuranosyl-beta-D-glucopyranosideME12484980.130.160.16NA1.541.882.12NA
1,2-dihydroxyheptadec-16-yn-4-yl acetateME12472920.230.250.16NA1.531.772.06NA
ArteincultoneME12474210.190.240.27NA1.461.792.06NA
Methyl tumonoate AME12485350.300.510.27NA1.462.251.21NA
Scrophuloside AME12487950.450.380.42NA1.532.151.07NA
(Z)-5,8,11-trihydroxyoctadec-9-enoic acidME12472930.320.380.20NA1.931.611.55NA
DihydrocitrinoneME12486320.240.300.24NA2.141.721.37NA
Libanotic acidME12474360.300.300.18NA2.111.661.44NA
1-HydroxyanthraquinoneME12470470.360.250.28NA1.931.791.39NA
2-[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoxy]propane-1,3-diolME12472240.190.310.37NA2.071.831.22NA
Flurogestone acetateME12479310.210.220.38NA2.041.801.35NA
Prolyl-MethionineME12482920.390.330.28NA1.721.801.48NA
20(R)-Ginsenoside Rg2ME12468880.380.470.36NA1.561.791.45NA
Zingibroside R1ME12468930.460.370.26NA1.621.771.52NA
16-HydroxyhexadecensaureME12476940.480.390.35NA1.551.781.45NA
Bryonioside GME12479470.410.350.37NA1.581.781.52NA
BaldrinalME12468730.260.310.31NA1.741.831.56NA
Soyasaponin BbME12470690.250.280.22NA1.721.941.60NA
rubiarboside G 28-alME12480720.320.240.22NA1.751.871.60NA
MurrayoneME12469440.270.250.23NA1.791.901.56NA
Topsentisterol D1ME12479130.240.230.20NA1.851.911.57NA
Ala-Glu-OHME12481530.260.370.28NA1.611.821.65NA
Sodwanone LME12486020.310.400.22NA1.611.891.57NA
1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acidME12475650.340.310.21NA1.642.011.48NA
Ginsenoside RoME12470610.330.250.20NA1.602.001.62NA
6,7,8-Trimethoxy-2H-1-benzopyran-2-oneME12475640.250.470.34NA1.711.971.26NA
EmbelinME12477440.300.450.30NA1.591.971.39NA
3,4-Dicaffeoyl-1,5-quinolactoneME12482990.430.610.12NA1.541.841.45NA
Benzo[b]naphtho[2,1-d]thiopheneME12486740.420.560.23NA1.521.911.35NA
Physalin IIME12485750.450.490.15NA1.522.021.38NA
NaucleidinalME12486160.540.910.37NA1.021.082.08NA
PE(18:2(10E,12Z)+=O(9)/P-16:0)ME12482970.720.890.27NA0.851.172.09NA
MG(0:0/18:3(6Z,9Z,12Z)/0:0)ME12483380.780.890.47NA0.721.351.78NA
PluviatolideME12478230.860.650.44NA1.031.221.80NA
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-oneME12484340.930.250.81NA0.281.322.41NA
3^-Hydroxy rocagloic acidME12485491.060.690.78NA0.510.991.97NA
Kaempferol-7,4^-dimethyl etherME12469461.280.710.68NA0.460.881.98NA
TenofovirME12478590.440.300.77NA1.420.922.15NA
Betaenone BME12473330.350.490.49NA1.471.022.19NA
Descyclopropyl AbacavirME12483520.450.520.41NA1.650.971.99NA
Denticulatin BME12484880.700.620.31NA1.820.711.84NA
MonooleinME12470320.730.730.49NA1.390.721.95NA
PeramivirME12487060.750.620.46NA1.270.802.09NA
12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acidME12474101.080.560.57NA1.410.941.45NA
Tuberatolide AME12474140.920.820.57NA1.440.731.51NA
Juvenile hormone IIIME12485830.870.690.55NA1.370.911.61NA
(S)-9-Hydroxy-10-undecenoic acidME12483170.840.720.58NA1.330.921.62NA
His His LysME12486970.420.620.74NA1.420.921.89NA
IsoliquiritigeninME12470430.660.460.64NA1.600.901.75NA
1,4-DiphenethylpiperazineME12482860.620.640.57NA1.530.991.64NA
Gliocladic acidME12474790.560.510.62NA1.601.031.67NA
ConiferinME12481050.730.560.58NA1.400.991.74NA
TetrahydrocortisoneME12470020.740.550.71NA1.350.861.79NA
4-EthylphenolME12470050.630.740.72NA1.220.971.73NA
TherafectinME12482840.550.690.58NA1.381.001.79NA
Astragaloside IME12469660.130.150.18NA2.031.651.86NA
Tenacissoside GME12469410.230.120.12NA1.981.611.93NA
cis-(Homo)3-aconitateME12479820.200.220.22NA1.941.731.68NA
Ethyl gallateME12482250.100.280.19NA1.961.661.80NA
Methyl beta-D-galactosideME12477060.190.250.25NA1.961.581.78NA
LigustrazineME12470620.200.180.41NA1.781.412.00NA
MilbemectinME12485270.110.150.23NA1.981.492.03NA
XanthotoxolME12471890.100.260.19NA1.961.422.07NA
3,7-Dimethyl-1,6-octadiene-3,4-diolME12478950.340.390.24NA1.951.271.82NA
Jasmonic acidME12474370.240.300.23NA2.041.291.92NA
Dendronobilin MME12485620.210.320.34NA1.871.401.86NA
Dicranenone AME12477760.390.360.35NA1.761.301.84NA
Rumphellolide BME12479540.340.330.29NA1.771.401.88NA
10-alpha-methoxy-9,10-dihydrolysergolME12483350.170.470.35NA1.901.161.95NA
Octadeca-8,10,12-triynoic acidME12474200.380.410.36NA1.731.171.95NA
Pro Gln HisME12478870.340.310.36NA1.721.192.07NA
Lys Val HisME12479340.310.340.29NA1.541.541.98NA
OxidosenexoneME12476210.350.360.37NA1.511.491.91NA
Colneleic acidME12478120.300.340.22NA1.541.422.18NA
Stearidonic acidME12473500.320.380.24NA1.541.372.14NA
Arg Phe ThrME12475480.270.270.28NA1.611.512.05NA
[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-oneME12474490.280.290.20NA1.651.452.13NA
beta-TOXICAROLME12486230.310.350.19NA1.711.531.91NA
DehydrodeguelinME12487690.290.270.18NA1.681.641.94NA
JayantininME12487300.160.350.39NA1.751.581.77NA
4beta-HydroxycholesterolME12485300.270.350.28NA1.641.671.79NA
9,10-EOTME12473480.330.400.32NA1.621.551.78NA
LamtidineME12479250.330.300.42NA1.671.501.77NA
AstragenolME12469610.370.300.29NA1.721.591.74NA
MerrilliortholactoneME12476950.350.210.32NA1.781.521.83NA
MicropineME12476540.470.290.16NA2.001.371.70NA
(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acidME12473420.380.320.26NA2.141.331.56NA
Malabaricone CME12470850.280.230.30NA2.201.311.68NA
3-hydroxydecanoateME12471090.550.580.37NA1.781.061.65NA
5-(Heptadec-12-enyl)resorcinolME12477010.450.490.49NA1.871.041.65NA
2^-Amino-2^-deoxyadenosineME12475220.450.350.40NA1.911.181.72NA
Oroxylin A glucoronideME12484180.600.240.37NA1.981.211.60NA
Cer(d18:0/18:0)ME12481730.640.740.25NA1.601.291.47NA
(plusmn)12,13-DiHOMEME12475320.520.550.20NA1.691.431.61NA
28-HomobrassinolideME12471710.510.610.36NA1.531.411.58NA
MG(0:0/15:0/0:0)ME12482030.500.680.32NA1.621.351.53NA
Beta-asaroneME12469930.500.460.36NA1.881.291.51NA
SedanolideME12469060.470.430.39NA1.821.321.58NA
Senkyunolide AME12469210.360.370.30NA1.851.441.68NA
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acidME12477840.390.480.29NA1.721.521.60NA
Pinoresinol dimethyl etherME12469570.350.440.35NA1.751.461.65NA
trans-urocanateME12471150.260.500.42NA1.831.341.66NA
D-Myoinositol 4-phosphateME12477360.450.540.33NA1.731.261.68NA
MG(0:0/18:2(9Z,12Z)/0:0)ME12483940.360.540.30NA1.741.301.77NA
DecylubiquinolME12477510.430.380.33NA1.511.721.64NA
trans-10-Heptadecenoic acidME12470950.400.410.34NA1.591.641.62NA
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinoneME12486630.490.460.36NA1.491.561.64NA
3-IsochromanoneME12473720.400.410.37NA1.521.551.75NA
DecylubiquinoneME12477920.420.410.42NA1.501.591.67NA
Fomlactone AME12485640.340.390.41NA1.521.641.69NA
Asparaginyl-SerineME12483190.450.240.31NA1.561.631.81NA
Phenylalanyl-prolyl-arginineME12483610.290.240.50NA1.611.661.70NA
PA(i-14:0/PGE2)ME12481950.480.220.44NA1.571.551.73NA
PleurogeninME12475600.400.270.45NA1.621.591.67NA
BarbatolME12476960.490.550.48NA1.491.511.48NA
5-MethoxyuridineME12471380.510.440.52NA1.431.601.50NA
Glutamylaspartic acidME12483480.550.470.42NA1.521.551.48NA
(+)-GoniopypyroneME12475170.530.480.45NA1.461.591.49NA
CitrininME12469370.480.480.40NA1.431.731.49NA
GlutaminylasparagineME12472460.410.420.45NA1.521.711.50NA
Hesperetin 7-O-glucosideME12469870.630.380.50NA1.591.521.39NA
Proscillaridin AME12469350.590.360.29NA1.661.601.50NA
20-DihydrodydrogesteroneME12472820.490.360.44NA1.671.531.52NA
9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetateME12474290.500.400.41NA1.621.481.60NA
MansumbinoneME12476700.540.370.41NA1.571.551.56NA
Withanolide BME12472050.470.630.25NA1.361.641.65NA
N-MalonyltryptophanME12476710.350.590.43NA1.351.481.80NA
CordycepinME12480770.280.560.42NA1.451.571.72NA
Orsellinic acidME12469620.390.470.43NA1.401.621.70NA
Brunnein AME12478040.400.570.47NA1.371.501.69NA
Dichotomine BME12479280.380.560.45NA1.401.551.66NA
1-Acetyl-8-hydroxy-beta-carbolineME12478300.390.550.47NA1.351.561.67NA
4-NitrosobiphenylME12487350.390.570.51NA1.351.541.65NA
3alpha,20-Dihydroxy-3beta,25-epoxylupaneME12474670.340.440.54NA1.551.511.63NA
6-HydrazinylnicotinamideME12482450.390.490.56NA1.421.371.77NA
DihydroalbocyclineME12476250.400.560.47NA1.491.391.69NA
AlbiflorinME12481160.450.360.38NA1.601.321.90NA
Platycarpanetin 7-O-glucosideME12485480.460.390.42NA1.511.311.91NA
Piperphilippinin IIME12487360.460.450.32NA1.591.451.73NA
[8]-GingerolME12477500.470.450.41NA1.631.341.69NA
Pseudopyronine AME12479290.460.460.39NA1.551.341.79NA
8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acidME12476000.530.410.53NA1.611.141.78NA
Thr Arg TyrME12476200.600.390.47NA1.561.071.91NA
Placidene CME12474320.540.420.51NA1.441.241.85NA
AchaetolideME12485100.560.590.42NA1.491.161.77NA
Rubinaphthin BME12485500.580.550.41NA1.441.261.76NA
DiscadenineME12479240.540.520.51NA1.541.241.65NA
His Ala GlnME12475390.570.430.47NA1.511.301.72NA
CinobufotalinME12481080.540.740.42NA1.521.131.65NA
Betulinan AME12486050.830.540.35NA1.381.331.57NA
7-MethoxyrosmanolME12481410.690.580.43NA1.511.141.65NA
Lys-Met-Met-MetME12480310.790.500.32NA1.531.211.65NA
4-Acetamido-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acidME12484840.540.550.60NA1.251.461.60NA
S-succinylcysteineME12484630.530.570.66NA1.211.401.63NA
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acidME12487320.480.680.63NA1.241.421.55NA
4-HydroxyxanthoneME12479100.520.660.52NA1.321.441.54NA
12-OPDAME12473490.470.670.45NA1.391.381.64NA
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-oneME12478430.520.640.49NA1.411.361.59NA
KirenolME12469190.490.510.59NA1.341.391.67NA
ParadolME12470660.470.540.57NA1.401.421.60NA
TofacitinibME12477480.550.590.41NA1.321.461.67NA
BrassicasterolME12472040.480.530.54NA1.261.541.63NA
gamma-GlutamyldopaME12482830.490.550.50NA1.321.481.66NA
3-PentadecylphenolME12483260.570.640.58NA1.201.281.72NA
Corchorifatty acid BME12474090.480.600.56NA1.351.281.73NA
5-beta-Androstane-3-alpha,17-beta-diolME12484730.650.520.50NA1.351.281.70NA
ArnidiolME12470480.670.570.52NA1.211.461.57NA
Moracin OME12480810.740.560.55NA1.181.341.63NA
MG(22:2(13Z,16Z)/0:0/0:0)ME12482750.660.570.58NA1.251.301.64NA
N-Gluconyl ethanolamine phosphateME12482290.600.560.55NA1.251.371.66NA
PharacineME12486420.510.450.68NA1.351.271.74NA
S-JaponinME12482210.570.420.74NA1.281.301.68NA
Altiloxin AME12476920.510.690.73NA1.301.251.53NA
PivagabineME12471970.550.590.81NA1.301.261.50NA
LyratalME12475100.580.510.66NA1.391.281.58NA
milbemycin alpha5ME12482060.480.600.70NA1.421.181.62NA
2-AcetylisonicotinohydrazideME12483150.650.320.53NA1.541.331.63NA
Orotic acidME12473030.740.370.33NA1.461.491.60NA
Creatine glutamateME12472480.850.270.63NA1.271.461.52NA
hesperadinME12478880.570.410.68NA1.401.491.46NA
(S,S)-traseolideME12477350.690.450.56NA1.351.471.48NA
3beta-Hydroxyonocera-8(26),14-dien-21-oneME12473910.470.450.38NA1.191.671.84NA
DianthosideME12474150.520.370.29NA1.291.741.78NA
14-Hydroxy sprengerinin CME12468760.320.350.36NA1.311.921.73NA
Tachiogroside BME12473920.370.360.31NA1.171.871.91NA
Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnosideME12484950.210.310.56NA1.361.492.06NA
Caperatic acidME12484790.230.340.49NA1.481.591.87NA
Polyphyllin HME12468800.220.230.52NA1.471.661.90NA
SulfamethazineME12486480.360.430.30NA1.341.651.92NA
6-Nonadecynoic acidME12486940.240.290.41NA1.451.741.87NA
BlonanserinME12484870.320.340.36NA1.361.731.88NA
Bitalin AME12474840.680.420.49NA1.071.441.91NA
Aspartyl-HistidineME12482360.530.370.58NA1.081.561.89NA
Kuguacin FME12476520.530.370.48NA1.201.561.86NA
1-MonolinoleinME12473950.550.700.39NA1.061.321.98NA
9-Oxo-10,12-octadecadienoic acidME12475620.610.660.39NA1.061.361.91NA
13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acidME12476870.490.540.48NA1.121.391.99NA
gamma-Eudesmol 11-alpha-L-rhamnosideME12477540.480.560.49NA1.271.271.92NA
Lys Leu SerME12477530.570.180.24NA1.391.472.15NA
Dinor-PGD2ME12473990.400.380.27NA1.311.472.17NA
PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-14:0)ME12482330.450.380.40NA1.221.402.14NA
Deoxycorticosterone sulfateME12483660.610.640.22NA1.271.232.03NA
MG(0:0/18:1(9Z)/0:0)ME12482910.490.610.41NA1.411.111.97NA
NardosinoneME12469680.440.390.49NA1.351.232.09NA
MinoxidilME12481330.570.470.38NA1.341.291.96NA
YaretolME12477970.540.450.32NA1.431.291.97NA
HeptadecatrienalME12474810.430.460.35NA1.431.292.03NA
Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoateME12474070.390.450.28NA1.431.332.13NA
2,2^-Dithiobis(pyridine N-oxide)ME12486990.790.440.88NA1.211.061.61NA
Hydroxysintaxanthin 5,6-epoxideME12483860.970.431.03NA0.951.021.59NA
Trp Met HisME12487250.681.020.67NA1.340.921.37NA
CPA(18:2(9Z,12Z)/0:0)ME12472850.650.990.69NA1.171.101.39NA
1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORINME12480490.691.000.66NA1.191.031.43NA
VindolineME12477580.650.960.66NA1.241.061.42NA
4alpha,14alpha-Dimethylcholesta-8,24-dien-3beta-olME12475990.680.640.64NA1.111.181.75NA
2-GonenME12472430.520.800.60NA1.211.221.65NA
4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-olME12477560.550.780.73NA1.071.231.64NA
Palmitoleoyl EthanolamideME12473120.680.770.66NA1.271.081.54NA
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-oneME12487640.670.760.65NA1.181.131.60NA
alpha-Linolenic acidME12470970.730.820.64NA1.161.111.55NA
1,2-dihydroxyheptadec-16-en-4-yl acetateME12472940.750.750.58NA1.171.091.66NA
C16 SphinganineME12479070.720.690.56NA1.181.201.65NA
PE-NMe(16:1(9Z)/15:0)ME12482520.850.780.55NA1.151.171.50NA
CPA(16:0/0:0)ME12482420.920.750.60NA1.111.061.56NA
5^-MethylthioadenosineME12471270.830.760.66NA1.101.101.56NA
IoneneME12473680.880.750.70NA1.061.041.57NA
PA(5-iso PGF2VI/P-16:0)ME12483300.690.650.81NA1.071.151.63NA
4alpha-Hydroxy-18-norgrindelic acidME12475350.690.690.85NA1.191.141.43NA
ArtemisininME12469800.670.760.88NA1.061.151.47NA
Methyl 4-O-galloylchlorogenateME12487910.740.770.79NA1.081.111.52NA
2-IsopropylphenolME12474590.680.710.77NA1.291.081.48NA
DihydropalutroponeME12479560.640.720.75NA1.321.051.52NA
Cladospolide BME12478050.780.750.78NA1.220.971.50NA
FucosterolME12471920.750.800.87NA1.130.941.52NA
Ser Phe ArgME12475470.830.800.67NA1.430.971.29NA
ResveratrolME12470630.850.680.55NA1.531.221.17NA
(-)-Blestriarene CME12486730.840.550.68NA1.511.121.30NA
CPA(18:1(11Z)/0:0)ME12472610.880.670.57NA1.441.071.37NA
(E)-Nerolidol acetateME12475210.720.810.74NA1.421.101.21NA
LepidimoideME12476030.670.750.81NA1.401.141.23NA
N-Octanoyl-L-homoserine lactoneME12476360.680.630.77NA1.501.151.27NA
3-MethoxyanthranilateME12471310.640.710.71NA1.431.281.22NA
Indole-3-carbinolME12470210.670.710.64NA1.461.261.26NA
4,6,8-TrimethylazuleneME12475660.690.710.72NA1.471.211.20NA
Goniothalesdiol AME12476800.620.770.72NA1.461.201.24NA
Annuionone EME12476730.850.820.69NA1.351.171.13NA
Aromadendrin 4^-methyl etherME12487760.860.820.72NA1.341.101.16NA
DihydromethysticinME12470400.640.880.68NA1.341.231.24NA
Glyasperin HME12478490.720.850.68NA1.311.191.25NA
gamma-glutamylglutamateME12471280.660.920.77NA1.321.121.21NA
Xestodecalactone BME12477420.660.940.76NA1.331.071.24NA
D-erythro-SphingosineME12469010.730.800.79NA1.271.071.32NA
TashironinME12474700.760.860.80NA1.291.091.21NA
1,9-DideoxyforskolinME12483140.710.560.89NA1.251.231.37NA
PlumericinME12480110.860.600.74NA1.221.321.25NA
N-CyclohexanecarbonyltetradecylamineME12485020.860.730.62NA1.321.261.22NA
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acidME12487070.840.720.66NA1.181.311.30NA
Methyl OrsellinateME12484470.850.770.64NA1.201.181.35NA
VilmoridineME12486840.570.660.67NA1.431.251.43NA
(+)-ChamecynenolME12474860.640.620.69NA1.321.351.39NA
Elaeokanine CME12476380.650.600.75NA1.361.311.32NA
Dibenzo-p-dioxinME12476430.700.670.54NA1.361.241.49NA
Perillyl alcoholME12470030.750.650.50NA1.381.171.55NA
Lanyuamide IME12477430.670.750.66NA1.301.261.36NA
1,2-CyclohexanedioneME12473090.740.740.64NA1.371.171.34NA
5-MethoxyresorcinolME12476810.700.710.66NA1.391.181.35NA
(Ethoxymethyl)benzeneME12470250.810.630.62NA1.301.261.39NA
(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromaneME12486430.740.740.62NA1.191.201.50NA
Albocycline M-1ME12475890.730.660.68NA1.241.231.46NA
CallytetrayneME12477390.530.720.84NA1.241.481.19NA
cis-Linoleic acidME12472580.670.860.57NA1.371.371.17NA
4,2^,4^,alpha-TetrahydroxydihydrochalconeME12479650.610.750.68NA1.211.531.21NA
6-Tuliposide BME12487600.620.800.61NA1.221.501.24NA
(+)-AllosedridineME12477750.670.740.68NA1.291.421.20NA
Apigenin 7-O-malonylglucosideME12469780.730.740.69NA1.311.411.11NA
2-Naphthalenesulfonic acidME12479720.790.530.43NA1.211.591.45NA
1,4-Dihydroxy-2-naphthoateME12475150.720.750.43NA1.281.441.37NA
1-NitrosopiperazineME12472220.750.660.48NA1.261.511.35NA
GermacroneME12469500.680.680.51NA1.291.381.46NA
SerotoninME12471700.690.710.58NA1.271.371.37NA
MagnoloneME12473930.780.690.56NA1.121.401.45NA
Vitexdoin CME12474000.790.720.51NA1.211.381.40NA
Oogoniol 2ME12475560.740.600.66NA1.081.421.50NA
Piscrocin EME12478540.720.620.58NA1.171.531.38NA
(+)-SarodesmineME12487490.851.170.71NA0.970.961.34NA
3-Hydroxy-beta-iononeME12473640.820.870.79NA0.921.091.52NA
PiscerythrinetinME12487470.970.890.70NA0.911.081.44NA
MG(0:0/19:0/0:0)ME12483100.920.940.64NA1.031.081.38NA
Ophiopogonanone DME12487030.930.940.74NA1.021.061.31NA
NigellicineME12472620.721.120.58NA1.001.201.38NA
Succinimidyl acetateME12483070.641.090.72NA1.011.281.27NA
1-Acetyl-2-methylcyclopenteneME12472840.651.080.50NA1.221.201.34NA
5,7,4^-Trihydroxyflavonone 4^-O-xylosylglucosideME12487860.811.040.56NA1.151.201.23NA
1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoateME12473350.870.940.57NA0.811.331.48NA
N-Acetyl-DL-aspartic acidME12472990.820.900.67NA0.931.261.42NA
Amphorogynine DME12486340.690.970.57NA1.041.321.41NA
gamma-GlutamylhydroxyprolineME12472830.670.900.65NA1.051.291.43NA
Salvianolic acid GME12477910.680.830.64NA1.111.301.45NA
Di-n-decyl phthalateME12485030.720.780.74NA1.041.441.28NA
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl esterME12478370.740.950.65NA0.931.441.28NA
OrmosanineME12484570.730.940.65NA1.021.391.27NA
Halisphingosine AME12473400.730.960.70NA1.021.311.28NA
Taraxacine BME12487010.740.920.68NA1.061.331.28NA
beta-L-Fucose 1-phosphateME12485441.000.780.53NA1.031.321.34NA
ProtofarrerolME12480520.920.870.65NA0.931.421.21NA
7-hydroxy-L-tryptophanME12474830.950.730.72NA0.791.431.39NA
Bussealin EME12477200.680.790.61NA0.861.541.52NA
LumisterolME12471790.750.760.70NA0.911.481.42NA
3,6-Dihydroxy-5,7-dimethoxyflavoneME12474030.970.650.80NA1.231.031.32NA
PA(16:1(9Z)/18:1(12Z)-2OH(9,10))ME12483900.930.660.78NA1.141.031.45NA
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphateME12482391.240.700.75NA1.071.051.18NA
DehydrophthalocyanineME12483031.070.760.87NA1.071.051.17NA
Lecanoric acidME12478411.100.750.78NA1.131.021.22NA
1,3,5-TrihydroxyxanthoneME12485451.070.670.87NA1.101.191.11NA
4-HYDROXY-6-METHYLPYRAN-2-ONEME12475001.040.701.01NA1.131.031.09NA
Avocadyne 2-acetateME12483620.950.700.78NA1.251.251.06NA
LineolonME12479260.940.680.93NA1.141.291.02NA
3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONEME12484490.950.800.87NA1.101.241.04NA
LawsoneME12469400.930.850.86NA1.081.271.02NA
Tulipalin BME12480450.820.880.73NA1.121.321.13NA
ViteraloneME12476580.780.890.61NA1.221.301.20NA
N-AcetylglutamineME12470930.870.740.78NA1.171.241.20NA
Saikogenin DME12468790.810.720.83NA1.161.231.26NA
L-AcetopineME12482880.880.790.83NA1.171.181.15NA
PA(14:0/20:5(5Z,8Z,11Z,14Z,17Z))ME12483230.860.750.88NA1.141.141.24NA
4,4^-DimethylangelicinME12486760.810.840.91NA0.971.231.25NA
CumeneME12477300.840.890.83NA0.981.261.19NA
Pennogenin 3-O-beta-chacotriosideME12469280.730.800.90NA1.101.241.23NA
RaloxifeneME12475970.760.850.85NA1.111.221.21NA
CallicarpenalME12474260.860.880.81NA1.101.201.14NA
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acidME12482540.760.920.82NA1.101.231.18NA
Methyl 2-acetyltormentateME12475960.780.900.81NA1.061.271.17NA
MG(0:0/22:0/0:0)ME12484190.590.930.81NA1.181.261.23NA
MarkogeninME12479050.600.961.00NA1.191.141.12NA
PipatalineME12476260.630.801.12NA1.091.231.14NA
Pregnan-21-alME12486860.630.801.10NA1.131.221.13NA
Asp-ValME12487440.720.620.56NA1.271.641.19NA
HydroxymatairesinolME12486370.730.490.53NA1.281.721.24NA
3^-HydroxypterostilbeneME12469090.580.540.43NA1.311.711.43NA
GlutamylthreonineME12482490.610.460.44NA1.311.791.40NA
CapillanolME12479970.510.540.64NA1.351.631.33NA
ArmillaneME12486920.510.590.41NA1.521.721.23NA
Leu-Gln-ProME12479380.680.500.47NA1.461.621.29NA
DG(i-14:0/0:0/PGE2)ME12484070.550.610.51NA1.431.621.29NA
HispolonME12469160.590.590.43NA1.381.621.38NA
Phe Phe LysME12487000.420.640.41NA1.501.901.14NA
pseudouridineME12471300.470.560.39NA1.441.921.24NA
AspartyltyrosineME12476080.650.580.52NA1.491.701.06NA
His Val LeuME12480690.650.610.38NA1.461.821.08NA
Foveolin AME12479690.710.540.64NA1.471.351.29NA
PalmitoylglycineME12470490.750.630.59NA1.451.311.29NA
AlliacolideME12475230.720.520.48NA1.491.451.34NA
AloeninME12476530.610.590.58NA1.441.451.33NA
gamma-Glutamylaspartic acidME12482480.730.590.53NA1.351.451.35NA
Raspberry ketone glucosideME12470420.610.500.69NA1.461.541.19NA
(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraeneME12474500.730.600.58NA1.511.461.14NA
HarmolME12484550.580.620.67NA1.551.461.12NA
Aminocaproic acidME12472170.580.670.68NA1.411.471.19NA
UrocortisolME12480200.650.680.62NA1.411.491.15NA
QuestinME12468830.760.500.51NA1.671.461.10NA
(+/-)-2-MethylthiazolidineME12484110.740.550.38NA1.561.511.25NA
THTCME12475710.740.560.40NA1.631.471.19NA
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoateME12476420.570.670.43NA1.571.521.23NA
(+/-)-2-(1-Methylpropyl)-4,6-dinitrophenolME12483840.770.680.44NA1.521.551.04NA
CaffeineME12473110.570.730.50NA1.541.561.09NA
Lauroyl diethanolamideME12472210.650.660.50NA1.581.571.04NA
Reduced FMNME12485990.530.570.61NA1.691.431.17NA
alpha-ZearalanolME12475340.550.530.58NA1.761.301.28NA
Lys Thr HisME12477650.670.510.47NA1.801.281.27NA
Sec-O-GlucosylhamaudolME12469750.570.570.51NA1.561.331.46NA
(S)-Panaxjapyne AME12474250.620.620.53NA1.461.351.43NA
6|A-Hydroxy-7|A-(thiomethyl)spirolactoneME12481910.500.590.63NA1.481.281.52NA
SavininME12478260.490.640.55NA1.471.361.48NA
4-Heptyloxybenzoic acidME12480050.550.380.62NA1.611.431.41NA
Erypoegin HME12487840.530.380.65NA1.721.311.42NA
Glycine glutamateME12483710.540.480.48NA1.691.431.39NA
PentamidineME12486890.510.500.47NA1.651.331.54NA
ArieianalME12477290.680.140.48NA1.541.781.38NA
Lys Ile MetME12487650.500.260.47NA1.921.731.12NA
Lysyl-Gamma-glutamateME12484100.530.300.60NA1.741.641.20NA
Sakacin AME12484160.400.250.51NA1.761.701.38NA
Tyr Phe TrpME12487260.670.630.25NA1.731.671.04NA
NigellidineME12479830.440.670.26NA1.701.821.11NA
Eremofortin EME12486800.490.560.34NA1.801.771.05NA
UngiminorineME12485880.390.560.35NA1.861.681.17NA
gamma-GlutamylmethionineME12481800.770.320.20NA1.731.921.06NA
H-TRP-ASP-OHME12480140.760.410.36NA1.501.951.03NA
LoxtidineME12487740.461.010.70NA1.051.601.18NA
Gentiascabraside AME12487830.850.730.44NA1.111.751.13NA
CholestenoneME12471930.820.610.65NA0.931.781.22NA
D-OctopineME12480060.710.650.79NA0.961.751.15NA
p-BenzoquinoneME12477020.520.560.54NA1.182.021.19NA
BETAMIPRONME12479230.390.790.71NA1.111.731.27NA
PhomonitroesterME12485610.580.690.64NA1.031.681.39NA
SpathulenolME12470800.540.660.54NA1.091.831.34NA
Luteolin 3^-methyl ether 7-malonylglucosideME12473190.590.620.83NA1.182.070.72NA
Asp Leu LeuME12476970.970.600.50NA1.121.960.85NA
XylobioseME12481510.780.530.61NA1.361.850.87NA
Dibenzothiophene-5,5-dioxideME12480510.870.840.61NA1.471.510.70NA
L-phenylalanyl-L-prolineME12475200.770.610.59NA1.621.550.85NA
Tetraethylene glycol monododecyl etherME12472190.740.720.67NA1.541.490.85NA
4-Oxo-2-azetidinecarboxylic acidME12483180.630.850.74NA1.531.340.90NA
His PheME12480130.870.750.58NA1.411.371.04NA
N-[3-(Dimethylamino)propyl]dodecanamideME12473060.870.760.48NA1.481.460.94NA
Asperorydine JME12472900.640.920.58NA1.471.490.91NA
Hexaethylene glycolME12483720.700.840.47NA1.531.411.05NA
Decaethylene glycolME12484530.760.880.53NA1.421.411.00NA
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanolME12483800.750.780.57NA1.511.450.94NA
Nonaethylene glycolME12484520.710.810.56NA1.501.430.99NA
alpha-L-Rhamnose monohydrateME12471800.950.410.90NA1.181.531.04NA
Nassauvirevolutin AME12487390.710.520.91NA1.391.640.84NA
Octaethyleneglycol monododecyl etherME12482680.710.620.87NA1.401.570.84NA
1,1,5-trimethyl-1,2-dihydronaphthaleneME12473690.840.710.84NA0.861.810.93NA
2-OxoarginineME12482310.900.900.94NA0.881.510.88NA
2E,4Z-OctadienalME12474990.870.830.80NA0.981.650.87NA
Pro AspME12479000.770.870.86NA0.951.610.94NA
FirocoxibME12476050.790.790.60NA1.231.630.94NA
Glu Ile IleME12473320.940.770.57NA1.261.520.94NA
Glu LeuME12475841.020.720.54NA1.251.520.95NA
ProlylhydroxyprolineME12471440.970.740.57NA1.301.590.83NA
Thr-TrpME12485241.010.660.56NA1.311.560.91NA
Dulciol DME12477210.990.790.70NA1.041.510.97NA
Octadecyl cis-p-coumarateME12472760.930.870.71NA0.981.501.00NA
Arg Ile LeuME12487140.930.740.77NA1.201.510.87NA
ThreonylhydroxyprolineME12472400.920.780.69NA1.161.441.00NA
DepdecinME12478710.860.820.63NA0.981.691.02NA
ViridieneME12474970.880.660.69NA1.121.601.05NA
SM(d18:0/16:1(9Z))ME12472321.740.640.29NA1.400.901.03NA
BisucaberinME12479451.320.560.49NA1.131.630.87NA
XylometazolineME12472231.540.510.42NA1.251.470.80NA
AgarotetrolME12469341.390.290.37NA1.371.231.34NA
Oroxylin AME12469270.970.490.58NA1.711.320.94NA
Ala-Leu-Leu-SerME12479841.160.610.60NA1.271.221.15NA
(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzeneME12474461.160.560.51NA1.511.191.07NA
Stemofuran KME12486570.160.350.26NA2.771.271.18NA
2^-deoxy-5-(4,5-dihydroxypentyl)uridineME12487630.350.190.33NA2.322.030.78NA
Radicamine AME12485380.370.540.51NA2.161.670.74NA
4^-O-MethylglucoliquiritigeninME12472650.440.240.37NA2.171.830.95NA
OnoninME12470360.460.380.38NA2.161.621.00NA
1,6-DimethoxypyreneME12485370.600.570.64NA2.371.360.45NA
L-HistidineME12471640.500.750.50NA2.161.170.93NA
6-HydroxymelleinME12479040.660.580.40NA1.961.500.88NA
Shogasulfonic acid AME12475500.500.530.66NA1.971.380.96NA
N-Benzoyl-D-arginineME12486560.580.450.74NA1.801.061.38NA
SM(d17:1/TXB2)ME12482950.360.410.77NA1.841.161.46NA
N-Palmitoyl LysineME12482320.280.430.95NA1.701.321.30NA
Stigmatellin YME12487670.450.530.92NA1.801.191.11NA
Hynapene AME12473980.390.410.53NA2.111.201.35NA
Naringin 6^^-malonateME12487850.430.400.86NA2.200.971.13NA
SuprofenME12477930.580.960.69NA1.910.761.10NA
(+/-)-2-Phenyl-4-methyl-2-hexenalME12472360.750.610.60NA1.760.971.31NA
cis-13,16-Docosadienoic acidME12470981.060.660.58NA1.820.871.00NA
AcalyphinME12486030.371.660.58NA0.801.910.67NA
METALDEHYDEME12482440.721.480.58NA0.231.841.15NA
AmifloxacinME12483470.491.580.64NA1.461.150.68NA
ErucifolineME12484580.521.170.86NA1.231.420.79NA
BlininME12471740.171.340.27NA1.551.680.99NA
N-acetylhistidineME12481600.181.780.06NA1.351.461.17NA
His Glu AsnME12475581.561.431.11NA1.470.210.22NA
EmodinME12484450.830.581.53NA1.490.940.63NA
(Z)-But-2-ene-1,2,3-tricarboxylateME12478620.861.081.13NA1.661.000.27NA
CinchophenME12483390.660.771.09NA1.751.180.56NA
1-O-Galloyl-beta-D-glucoseME12486040.650.841.12NA1.920.810.66NA
8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diolME12483320.620.721.16NA2.030.780.68NA
2-Desoxy-4-epi-pulchellinME12469390.690.691.79NA1.000.741.09NA
(+)-ButalactinME12485570.541.041.65NA1.190.900.68NA
Soyasapogenol AME12470790.481.131.26NA1.271.120.75NA
AllopatuletinME12485011.701.350.24NA0.991.010.72NA
21-Fluoro-16-ethyl-19-norprogesteroneME12483741.021.080.37NA1.301.800.43NA
N2,N5-Dibenzoyl-L-ornithineME12487810.951.270.60NA1.361.530.30NA
Prenyl glucosideME12482301.120.840.65NA1.051.800.54NA
[8]-ShogaolME12470551.080.871.06NA0.851.620.52NA
Gly Phe IleME12478671.450.810.82NA0.721.540.66NA
7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthreneME12478201.150.671.32NA0.580.781.51NA
2-HydroxyacetophenoneME12470870.960.781.15NA1.130.741.24NA
12-DeoxywithastramonolideME12469721.220.891.10NA0.920.601.27NA
CinmethylinME12474181.040.881.21NA0.860.781.23NA
Licochalcone BME12481491.090.871.41NA0.800.711.11NA
PA(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0)ME12482800.830.741.15NA0.821.051.41NA
SpironolactoneME12484140.880.761.40NA0.851.091.01NA
AdenosineME12481690.481.141.14NA1.340.581.32NA
Prostaglandin E1ME12481251.151.030.68NA0.980.631.53NA
DicraninME12474170.871.070.69NA1.190.751.43NA
PA(i-12:0/i-19:0)ME12483410.860.971.00NA1.080.721.38NA
PalutroponeME12476450.830.980.97NA0.970.851.40NA
10-hydroxy-2E-decenoic acidME12478921.121.070.86NA0.990.731.24NA
FalcarinolME12478190.961.070.91NA1.140.631.29NA
Nigakilactone HME12480600.910.780.77NA0.950.611.97NA
N-FeruloylglycineME12474800.610.940.63NA1.170.831.81NA
MimosamycinME12485810.750.940.87NA0.880.781.78NA
Rhodojaponin IIIME12481060.650.980.94NA0.990.731.70NA
(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzeneME12474551.011.371.08NA0.890.651.01NA
Prosapogenin AME12481421.001.501.03NA0.810.561.10NA
HarmalolME12470760.981.321.10NA0.650.701.25NA
PA(10:0/PGF1alpha)ME12483200.941.501.06NA0.640.751.12NA
PA(19:2(10Z,13Z)/6 keto-PGF1alpha)ME12482160.681.560.82NA0.930.981.02NA
DTrEME12486851.081.571.05NA0.750.740.82NA
1-NitrosonaphthaleneME12475720.941.630.82NA0.800.940.87NA
oleoyl ethanolamideME12471531.121.630.80NA0.860.790.81NA
Subamolide CME12473370.971.410.80NA1.010.820.99NA
7-Deacetoxy-7alpha,11alpha-dihydroxygeduninME12480610.931.500.85NA0.730.851.13NA
PhosphinothricinME12476740.861.590.98NA0.840.760.97NA
guanidinosuccinateME12471110.871.061.31NA0.531.051.18NA
O-SuccinylhomoserineME12484690.831.361.30NA0.550.990.97NA
3-DeoxyestradiolME12474230.771.211.35NA1.090.800.79NA
Montiporyne FME12474240.691.111.50NA0.970.631.10NA
Bengamide EME12485670.531.411.26NA0.870.931.00NA
DemethoxyencecalinME12470820.530.981.33NA0.971.091.10NA
13-Apo-beta-carotenoneME12473550.801.081.25NA0.930.741.21NA
ADENOSINE 3^,5^-CYCLIC MONOPHOSPHATEME12473010.621.021.24NA0.930.921.27NA
NitecaponeME12481400.631.221.05NA0.901.240.96NA
FlumezapineME12482870.521.201.01NA1.061.041.17NA
(-)-10-Methoxyvincamedine N-oxideME12477570.751.240.89NA1.030.971.12NA
5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acidME12483500.811.090.95NA1.130.991.02NA
HormodireneME12474570.691.111.04NA1.140.941.08NA
4^,5,7-TrimethoxyflavonolME12471721.450.930.79NA0.530.891.40NA
4alpha-Phorbol 12,13-didecanoateME12483131.180.840.61NA0.551.521.31NA
Ilekudinoside JME12479881.140.910.83NA0.631.471.01NA
2,6-Diaminoheptanedioic acidME12481561.250.790.73NA0.921.330.98NA
GenipinME12474311.220.820.59NA1.001.261.12NA
TilmacoxibME12478731.300.700.74NA0.721.221.32NA
Amphidinolide BME12478011.150.910.67NA0.751.111.41NA
N-Stearoyl AlanineME12482381.160.870.77NA0.871.141.19NA
(3R)-6-Hydroxy-3-isopropenyl-heptanoateME12485090.931.070.82NA1.361.070.75NA
L-LeucineME12471590.891.060.70NA1.461.090.79NA
3beta-Fluoro-5beta-pregnan-20-oneME12477490.930.960.88NA1.471.110.65NA
Trp-Ala-GlyME12477830.870.850.90NA1.501.050.82NA
6,10,14-Trimethyl-2-methylenepentadecanalME12477700.981.050.56NA1.311.120.98NA
(-)-2,3-DihydrocitromycinME12486540.811.000.67NA1.441.080.99NA
Wyethic acidME12475310.760.950.69NA1.451.091.07NA
H-Leu-Glu-OHME12473531.070.570.99NA1.510.930.92NA
AstilbinME12481341.030.630.84NA1.451.021.02NA
DihydrokaempferolME12470540.970.650.87NA1.531.050.92NA
1,11-TridecadieneME12484060.700.671.03NA1.391.011.20NA
H-PRO-ALA-OHME12479890.670.811.05NA1.330.891.25NA
5-oxoprolineME12471420.800.930.89NA1.530.781.08NA
2-Methylpentanedioic acidME12471580.750.930.80NA1.430.861.22NA
Asiaticoside BME12481480.790.860.89NA1.280.841.34NA
PamapimodME12476880.810.910.88NA1.290.911.19NA
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-oneME12484360.900.770.90NA1.440.851.16NA
Lys Glu HisME12479870.960.730.91NA1.310.791.30NA
Nigellimine N-oxideME12483290.921.440.93NA0.871.070.78NA
NorbergeninME12481090.921.390.96NA0.621.101.00NA
(-)-ChrysogineME12475121.151.050.92NA0.691.181.00NA
1,2,4-TrimethoxynaphthaleneME12473621.060.941.03NA0.721.211.06NA
(4S)-4-Hydroxy-L-isoleucineME12479730.941.001.00NA0.821.221.03NA
Glycerol glutamateME12482081.121.120.98NA0.821.210.77NA
2-Hydroxy-3-phenylpropenoateME12474541.091.140.90NA0.861.120.88NA
MahanimbinolME12482121.121.180.95NA0.741.090.91NA
Cetoniacytone AME12480420.991.181.06NA0.711.100.97NA
4,5-Dihydromelampodin BME12486721.031.311.07NA0.781.090.72NA
5^-N-MethylcarboxamidoadenosineME12472800.931.261.15NA0.711.130.83NA
Asperitaconic acid BME12484280.880.971.04NA1.221.090.81NA
1-ethyl-3-[(2S)-2-methylbutyl]piperidineME12479570.860.840.94NA1.311.210.84NA
TricaprilinME12470060.910.811.03NA1.181.190.88NA
L-ThreonineME12471650.680.911.14NA1.211.031.04NA
MentholME12484440.750.861.17NA1.311.010.90NA
4,8-DimethylquinolineME12483820.850.971.14NA0.971.140.93NA
6,8-TricosanedioneME12472550.780.861.22NA1.101.090.94NA
Asp Glu ArgME12486380.880.981.05NA1.350.830.91NA
DocosanamideME12477991.030.941.04NA1.340.940.72NA
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-olME12483401.050.891.10NA1.200.860.89NA
Ficuseptamine AME12486551.050.951.11NA1.330.770.79NA
Rehmaglutin CME12487790.901.040.95NA1.200.811.09NA
SclareolideME12470460.970.960.88NA1.230.811.16NA
ChamazuleneME12477050.980.920.97NA1.270.811.05NA
ShiononeME12471881.090.931.01NA1.210.770.99NA
NitramineME12476841.091.060.74NA1.160.871.08NA
Propyl cinnamateME12478931.041.040.77NA1.101.011.04NA
Lachnophyllum esterME12478311.050.980.86NA1.230.881.01NA
CodlemoneME12477721.051.010.79NA1.240.980.94NA
Nocapyrone EME12475131.061.080.81NA1.190.890.96NA
ButuronME12484661.121.030.79NA1.310.850.90NA
Erythro-5-hydroxy-L-lysinium(1+)ME12483211.171.010.85NA1.200.820.96NA
N-Isobutyl-(2E,4E)-octadecadienamideME12477981.341.060.80NA1.190.670.93NA
NicotianamineME12473441.350.950.84NA1.160.830.87NA
Phe GlyME12478181.290.990.90NA1.110.960.75NA
6-cis-DocosenamideME12477521.190.940.98NA1.260.770.86NA
Brassidic acidME12472111.230.940.98NA1.270.740.85NA
N6,N6,N6-Trimethyl-L-lysineME12476141.280.820.95NA1.110.870.98NA
Chokol GME12486091.111.060.93NA1.090.801.01NA
Malabaricone BME12471941.231.000.96NA1.060.760.98NA
13-Heptadecyn-1-olME12472561.340.990.90NA0.880.791.10NA
3-KetosphingosineME12476071.220.970.79NA1.060.911.04NA
BisdemethoxycurcuminME12486361.300.950.78NA0.960.881.14NA
ThalidomideME12487771.071.150.88NA0.771.011.12NA
2,6-Dimethoxy-1,4-benzoquinoneME12470501.111.160.87NA0.920.941.00NA
Phepropeptin AME12475531.131.170.89NA0.900.891.02NA
Methiocarb-sulfoxideME12484761.060.950.98NA0.930.871.22NA
Comazaphilone CME12474691.061.020.86NA0.840.991.23NA
Cer(d18:0/12:0)ME12486881.011.020.90NA0.950.951.17NA
GelsemideME12485461.021.000.96NA0.881.001.14NA
(+)-ProsopinineME12485321.190.930.96NA0.840.801.28NA
LETESTUIANIN BME12476651.211.030.88NA0.820.851.20NA
SesaminME12470861.171.000.88NA0.830.951.17NA
2-CarboxybenzaldehydeME12469581.041.051.05NA0.970.901.00NA
KauraneME12473511.131.071.04NA0.880.900.99NA
cis-11-Eicosenoic acidME12470961.111.051.03NA0.880.921.00NA
HexadecanoylpyrrolidineME12477471.091.061.05NA0.880.921.00NA
EpiandrosteroneME12470071.011.051.09NA0.851.060.95NA
2-MethoxyjugloneME12478631.020.961.07NA0.931.011.01NA
StearamideME12470751.061.011.07NA0.930.970.95NA
2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetateME12477551.180.941.09NA0.841.010.94NA
GemopatrilatME12482041.280.951.08NA0.870.860.96NA
cis-11,14-Eicosadienoic acidME12471081.201.021.05NA0.950.960.83NA
MG(0:0/i-15:0/0:0)ME12472421.180.971.13NA0.950.880.88NA
OleamideME12471351.201.071.09NA0.880.870.89NA
Aralia cerebrosideME12475021.081.041.02NA1.110.950.80NA
GeranylgeraniolME12469421.060.951.07NA1.041.000.88NA
DimethylglycineME12471670.981.071.05NA1.150.890.86NA
Ficiolide EME12484240.971.161.02NA1.070.870.91NA
Methyl methanethiosulfonateME12482641.011.120.97NA1.100.840.95NA
CarriebowmideME12475541.041.131.16NA0.980.830.88NA
BombykolME12469101.041.151.10NA0.910.910.89NA
Acetyl tributyl citrateME12481781.031.171.02NA0.990.890.90NA
NEROLME12484371.081.161.05NA0.950.880.88NA
3-(2-Hydroxyphenyl)propanoic acidME12471231.061.150.95NA0.990.960.90NA
JasmoneME12474950.961.091.03NA1.030.970.92NA
LagochilinME12484390.931.171.03NA0.991.010.89NA
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-oneME12479090.921.231.14NA0.910.880.92NA
CaffeateME12471200.791.201.08NA0.911.001.02NA
Caerulomycin IME12486790.741.161.22NA0.981.010.89NA
N-(1-Deoxy-1-fructosyl)alanineME12483540.831.201.17NA0.920.970.90NA
7-Octene-1,6-diolME12477740.781.021.18NA0.980.971.08NA
CadineneME12481990.780.931.32NA0.960.951.06NA
1,2-DihydrostilbeneME12475751.001.021.24NA0.880.900.96NA
4-ISOPROPYLANILINEME12478970.931.041.19NA0.910.931.01NA
GlycylprolineME12481550.970.921.13NA1.010.971.00NA
(-)-Tochuinyl acetateME12473540.971.011.18NA1.080.870.90NA
5^-O-beta-D-GlucosylpyridoxineME12473961.031.041.10NA0.641.001.19NA
ButylidenephthalideME12479550.971.011.04NA0.800.981.19NA
L-2,3-DihydrodipicolinateME12482770.870.880.99NA0.921.101.24NA
homoarginineME12471120.840.921.02NA0.951.001.28NA
Sinulaflexiolide CME12486240.790.931.10NA0.881.011.28NA
4,4^-DiapophytoflueneME12473281.050.901.01NA0.950.991.11NA
3-methoxy-5-phenylphenolME12476590.960.901.05NA0.851.071.16NA
L-Histidine trimethylbetaineME12472141.010.901.06NA0.931.021.07NA
24-MethylenepollinastanoneME12478570.970.931.03NA0.911.051.11NA
N6-ThreonylcarbamoyladenosineME12472970.950.941.05NA0.911.041.11NA
Farnesyl acetateME12474220.850.961.04NA1.071.021.06NA
alpha-MethylstyreneME12473770.880.920.95NA1.041.081.13NA
H-MET-MET-OHME12487590.930.940.97NA1.021.031.11NA
AllylestrenolME12485540.771.040.73NA1.261.001.19NA
BellendineME12476400.841.020.83NA1.170.981.16NA
1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphateME12473240.771.070.81NA1.100.961.29NA
Panaxjapyne CME12476280.671.020.85NA1.171.121.16NA
Ardisiaquinone DME12478750.731.080.82NA1.091.071.20NA
Syringic acidME12471690.751.000.88NA1.121.061.19NA
2-(Propan-2-yl)-9H-thioxanthen-9-oneME12484640.950.920.84NA1.160.891.24NA
5-MethylangelicinME12476410.990.930.82NA1.110.991.16NA
(+)-Epilupinine-N-oxideME12478610.990.900.75NA1.101.001.25NA
Kinabalurine GME12475141.010.890.79NA1.120.951.25NA
4-IsopropenylbenzaldehydeME12475090.850.880.86NA1.151.021.24NA
Cytosporin DME12475910.830.830.87NA1.131.081.27NA
4-Methoxyphenethyl alcoholME12469650.880.940.93NA1.160.991.10NA
CrepenynateME12476270.940.880.84NA1.191.021.13NA
3,3^,5,5^-Tetrahydroxy-4-methoxystilbeneME12476551.030.940.84NA1.001.240.95NA
2-OH-C16 :0 CeramideME12474650.960.990.92NA0.931.280.92NA
Kermadecin GME12478110.991.020.95NA0.961.150.92NA
beta-AmyroneME12471851.161.010.93NA0.941.080.88NA
4-Isopropylbenzyl alcoholME12471961.180.900.90NA1.101.040.89NA
RHODOTORULIC ACIDME12487041.190.930.97NA1.021.060.83NA
H-TYR-GLN-OHME12486111.220.920.91NA0.961.150.84NA
PhenylalanylphenylalanineME12473041.160.850.91NA1.031.140.91NA
Diacarnoxide CME12485981.180.880.89NA0.901.150.99NA
OctadecylamineME12472201.070.870.93NA1.041.100.99NA
trans-10-Nonadecenoic acid(C19-1T)ME12471241.100.920.96NA0.991.070.96NA
11,15-Epoxy-3(20)-phytene-1,2-diolME12485591.040.960.93NA1.220.940.91NA
2-Methoxy-1,4-naphthoquinoneME12478420.980.940.99NA1.170.940.98NA
beta-fenchocamphoroneME12474940.940.960.90NA1.211.080.92NA
Methyl [6]-paradolME12486870.950.950.91NA1.300.980.91NA
1-HexadecanethiolME12484001.011.020.95NA1.060.931.03NA
4-n-PentylphenolME12479941.051.030.92NA1.020.941.05NA
N-desmethyl loperamideME12480391.031.060.92NA1.000.971.03NA
BenzylformateME12479111.021.030.93NA1.120.920.97NA
DodecanamideME12480020.971.110.91NA1.110.940.97NA
1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexaneME12475670.891.030.94NA1.121.100.92NA
N,N-DimethyltetradecylamineME12473160.961.060.94NA1.101.020.92NA
tetradec-5-ynoic acidME12484420.901.050.94NA1.131.000.98NA
beta-IononeME12474880.980.960.90NA1.090.981.09NA
DroseroneME12479220.970.950.98NA1.031.041.03NA
4-Hydroxycrotonic acidME12482940.961.030.95NA1.060.981.03NA
Abietic acidME12484700.950.990.93NA1.061.031.04NA
(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadieneME12487781.010.980.86NA1.151.011.00NA
12-hydroxystearic acidME12471000.970.940.90NA1.081.061.05NA
2-amino-1,3,4,5-icosanetetrolME12474730.970.970.91NA1.051.091.02NA
2-(1-Propenyl)-delta1-piperideineME12472411.000.940.94NA1.111.011.00NA
Halaminol CME12475780.981.020.91NA1.101.020.97NA
PelletierineME12479911.000.980.91NA1.091.011.02NA
Petroselaidic acid(C18-1T)ME12471250.970.990.92NA1.091.041.00NA
EstraneME12477330.970.990.89NA1.091.051.00NA
Oxidized Latia luciferinME12476830.980.980.90NA1.101.041.00NA
3-EthyltolueneME12474630.990.970.94NA1.051.080.96NA
LabienoximeME12472670.970.950.92NA1.091.080.99NA
o-CymolME12474600.970.950.93NA1.101.070.98NA
Sphingosine (d17:1)ME12471760.940.970.93NA1.091.090.98NA
Myristoleic acidME12471560.970.970.91NA1.081.100.97NA
TecostanineME12479990.960.960.91NA1.101.100.97NA
LevomenolME12470890.941.010.90NA1.091.100.95NA
PellitorineME12480030.940.970.91NA1.101.120.95NA
Linoleic acid amideME12471360.930.980.91NA1.111.100.97NA
N-MethylpelletierineME12477730.950.970.89NA1.121.100.97NA
AmbroxideME12468810.950.930.87NA1.161.101.00NA
Azacyclotridecan-2-oneME12484650.910.980.91NA1.151.050.99NA
EthylbenzeneME12473780.950.950.91NA1.141.070.98NA
alpha-IroneME12474390.871.050.79NA1.151.190.94NA
N-(gamma-L-glutamyl)-L-alaninolME12477940.820.930.85NA1.171.280.94NA
Caryophyllene oxideME12470160.820.830.91NA1.201.181.05NA
Obscuraminol AME12477400.900.870.90NA1.221.111.00NA
17beta-Amino-5alpha-androstan-11beta-olME12478640.830.930.86NA1.151.151.08NA
Pumiliotoxin 251DME12478850.900.930.86NA1.121.111.08NA
9-OxoOTrEME12474770.820.970.80NA1.181.111.12NA
DaucosterolME12481240.800.900.79NA1.211.181.13NA
HispidolME12470680.911.040.87NA0.971.021.19NA
Sodwanone MME12478480.930.950.81NA1.021.131.16NA
DG(5-iso PGF2VI/16:0/0:0)ME12483650.981.090.78NA0.871.171.12NA
Chandrananimycin AME12487080.911.110.86NA0.951.111.06NA
Eupomatenoid 3ME12475870.811.150.92NA0.971.121.02NA
4-Hydroxybenzyl alcoholME12470270.911.140.72NA1.111.081.05NA
methionine sulfoxideME12471130.971.240.83NA1.051.040.88NA
(+)-ColumbianetinME12469121.121.160.75NA0.971.070.92NA
8-ChlorotheophyllineME12483811.041.190.81NA0.991.030.95NA
ShikoninME12469241.021.090.83NA1.031.050.98NA
(2E)-2-[hydroxy(phenyl)methylidene]-6-methoxy-1-benzofuran-3-oneME12472961.140.760.76NA1.451.380.51NA
Asn-TyrME12485231.290.850.59NA1.300.980.99NA
Calycosin-7-O-beta-D-glucosideME12469601.330.760.86NA1.371.010.67NA
cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthaleneME12474931.100.860.78NA1.431.040.79NA
Leu-Ala-GlyME12473561.180.860.71NA1.351.170.73NA
9-(alpha-D-glucosyl)dihydrozeatinME12485001.120.911.14NA0.971.180.68NA
3-Hydroxy-5-oxohexanoateME12486080.980.971.00NA1.091.330.63NA
Linolenyl alcoholME12476311.040.880.98NA1.151.190.76NA
Prolyl-tyrosineME12485221.020.931.03NA1.011.250.76NA
Val Phe PheME12486151.280.711.02NA1.031.160.81NA
Glycidyl stearateME12476661.190.741.06NA1.261.050.70NA
Isoleucyl-ThreonineME12472571.070.751.00NA1.301.190.67NA
Kinetensin 1-3ME12472311.010.870.71NA1.321.110.99NA
Ala-Leu-Val-SerME12484991.160.810.67NA1.191.131.03NA
Phe Asn LeuME12475451.090.840.77NA1.141.180.98NA
AlanylthreonineME12483631.150.970.83NA1.231.120.70NA
Lauramine oxideME12475791.070.850.88NA1.141.110.95NA
ThreonylthreonineME12472811.070.880.86NA1.191.130.87NA
Val Leu AlaME12480121.140.840.82NA1.191.160.84NA
Gln Leu PheME12487661.090.980.78NA1.151.190.80NA
Phe Ala LeuME12479581.010.890.81NA1.221.220.85NA
18-Isovaleryloxygrindelic acidME12479530.900.970.65NA1.191.460.83NA
alcaliginME12480280.940.880.69NA1.211.271.00NA
DelbineME12486071.030.950.66NA1.141.300.93NA
L-NorleucineME12470941.011.020.62NA1.211.290.86NA
Asn Val LeuME12487821.250.650.56NA1.291.370.87NA
gamma-GlutamyltyrosineME12485251.160.680.61NA1.261.470.83NA
1,8-Diazacyclotetradecane-2,9-dioneME12485211.200.760.61NA1.241.430.77NA
2,4-Bis(1-phenylethyl)phenolME12487451.250.770.52NA1.251.430.79NA
H-GLU-VAL-OHME12479031.030.750.56NA1.291.420.93NA
H-TRP-ALA-OHME12480101.120.750.58NA1.251.380.91NA
alpha-Asp-IleME12475811.100.770.72NA1.191.400.81NA
AspartylphenylalanineME12471331.070.790.63NA1.291.440.77NA
AlanylhydroxyprolineME12482371.060.770.67NA1.261.420.82NA
Glu Glu IleME12477811.060.790.65NA1.221.460.82NA
Thr Leu IleME12475371.130.900.64NA1.151.390.79NA
Val Ile LeuME12475361.140.890.65NA1.101.450.77NA
GlutamylarginineME12483981.240.900.67NA1.081.320.78NA
H-D-Tyr-val-gly-OHME12482591.230.880.60NA1.201.330.77NA
2-Fluoro-5-hydroxy-L-phenylalanineME12483951.080.870.75NA1.121.290.90NA
Val Leu PheME12476020.980.850.79NA1.131.330.91NA
Thr Val LeuME12480171.080.900.78NA1.031.370.84NA
Asn Ile LeuME12479171.130.870.75NA1.151.310.79NA
Asp-Val-Val-ValME12486281.140.860.76NA1.091.350.81NA
H-ILE-TRP-OHME12475881.200.760.64NA1.231.350.83NA
Ile IleME12473581.220.790.66NA1.191.290.85NA
Arg Val PheME12486461.090.830.63NA1.201.320.93NA
His IleME12477850.990.870.66NA1.221.360.89NA
(S)-ATPAME12479521.150.820.77NA1.201.250.81NA
SerylvalineME12472441.130.870.72NA1.181.260.85NA
LeuhistinME12476091.170.830.71NA1.161.270.87NA
Ser LeuME12473611.160.830.69NA1.171.250.89NA
Thr Leu PheME12478771.080.890.68NA1.231.300.81NA
H-Ile-Tyr-OHME12479591.070.830.74NA1.241.280.84NA
SerylglutamineME12472301.050.830.71NA1.211.280.91NA
Arg Glu LeuME12480711.460.920.63NA0.971.340.68NA
Ile Val GlyME12480651.380.900.65NA0.971.460.64NA
GlycylhydroxyprolineME12483331.300.800.74NA1.061.530.58NA
L-Alanyl-L-prolineME12476931.190.950.81NA0.971.350.73NA
Thr Gly IleME12479421.170.890.75NA1.011.480.71NA
ValylprolineME12472381.250.910.75NA1.001.420.67NA
Ala Leu GluME12480671.311.040.72NA1.011.230.68NA
Val Ile GluME12480191.280.980.70NA1.051.300.68NA
Arg Leu IleME12475461.360.980.79NA1.041.220.61NA
Tyr PheME12480151.410.940.81NA1.101.160.58NA
Ile Ser ValME12487621.340.820.69NA1.141.280.73NA
(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysineME12475261.370.820.70NA1.181.220.71NA
L-Leucyl-L-ValineME12471411.340.860.69NA1.171.260.68NA
Val Leu GlnME12479371.370.870.75NA1.171.130.72NA
Phenylacetylglycine dimethylamideME12487511.380.950.71NA1.091.160.71NA
(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrolME12479121.410.870.77NA1.081.160.71NA
Glycyl-L-leucineME12471631.330.920.76NA1.081.180.74NA
H-Thr-Phe-OHME12473521.360.890.80NA1.061.180.72NA
Leu-Val-GlyME12475281.410.940.71NA1.111.250.59NA
Phe-Ala-GlyME12473471.470.850.70NA1.091.190.69NA
PhenylalanylvalineME12471451.430.900.70NA1.141.190.64NA
PhenylalanylalanineME12470701.160.930.86NA1.091.250.72NA
pre-putrebactinME12480251.170.940.78NA1.101.300.71NA
Ala-ValME12473071.150.940.88NA1.051.210.78NA
LeonurineME12485861.120.930.92NA1.051.180.79NA
Ile Leu LeuME12475401.180.870.86NA1.081.200.81NA
PhenylalanylserineME12475821.190.900.83NA1.101.220.76NA
gamma-GlutamylphenylalanineME12471171.260.910.81NA1.011.230.77NA
Ile Ile SerME12478661.300.930.83NA1.031.230.68NA
Ser Ile GluME12480681.300.930.75NA1.081.230.71NA
1-(3-Aminopropyl)-2-pyrrolidoneME12484211.230.860.79NA1.121.220.78NA
Phe-AsnME12477411.240.860.77NA1.091.270.77NA
H-Ile-Gln-OHME12473571.240.830.71NA1.161.250.81NA
DL-Leucyl-DL-phenylalanineME12470741.210.850.75NA1.121.250.81NA
H-Leu-Asn-OHME12475161.210.860.74NA1.131.240.82NA
Arg Val LeuME12475441.210.910.78NA1.061.200.84NA
N-(3-(Dimethylamino)propyl)acrylamideME12481981.290.940.79NA1.101.140.75NA
H-Val-Tyr-OHME12470241.270.900.76NA1.101.190.78NA
3-HydroxyhexobarbitalME12480071.230.900.80NA1.101.190.78NA
L-Alanyl-L-leucineME12470351.260.890.80NA1.091.170.79NA
N-(4-Amino-2,5-diethoxyphenyl)benzamideME12482341.390.890.80NA0.971.120.83NA
3-acetamino-6-isobutyl-2,5-dioxopiperazineME12487101.330.860.91NA1.021.130.76NA
Leu Ala IleME12475331.260.930.89NA1.021.140.77NA
Leu-Gly-ProME12475851.270.940.93NA1.051.080.73NA
Asn-Leu-Leu-SerME12484931.380.920.56NA1.051.240.85NA
Leu-Asp-GlnME12480701.340.860.70NA1.061.190.85NA
LysylserineME12472501.250.880.64NA1.151.210.87NA
6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetateME12475771.270.990.67NA1.021.130.91NA
(Z,Z,Z)-3,6,9-Dodecatrien-1-olME12477041.181.030.76NA0.931.220.89NA
GlutamyltyrosineME12472881.260.890.88NA0.931.270.77NA
2^-O-MethyladenosineME12470261.321.050.84NA0.841.340.60NA
L-isoleucyl-L-prolineME12476351.250.990.87NA0.961.270.66NA
Leu-Thr-AlaME12473451.330.960.91NA0.901.250.64NA
SlaframineME12486601.330.980.91NA0.851.300.63NA
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACIDME12482231.191.010.92NA1.091.240.55NA
Pro Thr IleME12487931.360.891.04NA1.051.130.53NA
ColcemidME12480971.221.190.97NA0.831.250.54NA
Val Thr GlnME12486641.231.250.76NA0.831.360.57NA
1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphateME12482550.961.510.64NA1.131.110.65NA
2,3-dilinolenoyl-sn-glycerolME12480330.881.170.85NA1.201.100.80NA
alpha-Tocopherol succinateME12482661.101.120.64NA1.061.190.88NA
Heptane-1-thiolME12483091.071.110.75NA1.101.240.74NA
DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)ME12483991.031.150.78NA1.111.110.82NA
Serylvalylglycylglutamic acidME12483271.111.160.73NA1.121.110.78NA
guanineME12474561.081.300.78NA1.081.030.73NA
Cyclo(Ala-Ile)ME12484251.181.220.75NA0.961.140.76NA
Neryl propionateME12484151.201.240.78NA1.011.160.62NA
2-IndanoneME12474981.640.911.73NA0.570.850.30NA
3_4_didhydroxypregna5_17_diene10_2carbolactoneME12473131.431.231.38NA0.820.950.18NA
DihydroalprenololME12482401.320.861.44NA0.921.060.40NA
3-Oxotetradecanoic acidME12483881.500.471.51NA0.730.940.86NA
TepanoneME12479671.560.361.64NA0.740.601.10NA
SulindacME12482701.380.981.42NA0.420.890.92NA
N2-(3-Hydroxysuccinoyl)arginineME12482811.410.771.58NA0.640.680.93NA
(1S)-7-Methoxy-1,2-dihydrocadaleneME12475801.500.851.37NA0.830.720.73NA
NeoisoliquiritinME12486961.630.851.22NA0.670.740.89NA
MalabaricanolME12480741.000.911.40NA1.080.840.77NA
2-(p-Aminobenzamido)pyridineME12483431.240.921.27NA0.830.820.92NA
(+)-4,5-Didehydrojasmonic acidME12474381.260.861.13NA0.921.000.83NA
OctylamineME12475061.240.951.17NA0.950.990.72NA
Leu Ala LysME12487051.120.791.36NA0.981.050.71NA
Thr Asp LysME12478861.160.981.31NA0.930.980.63NA
1-O-Oleyl LPAME12478441.391.311.09NA0.590.571.04NA
Atractylenolide IIIME12469221.271.521.11NA0.620.570.91NA
OctacosanoylcarnitineME12483701.231.201.21NA0.930.431.00NA
SenedigitaleneME12474451.241.231.09NA1.020.580.84NA
AmbreinME12484091.461.431.20NA0.820.280.81NA
L-Ascorbic acidME12481571.261.461.32NA0.840.410.72NA
(E)-4-Hexen-1-olME12482091.131.151.14NA1.170.750.65NA
Polyneuridine-N-oxideME12479161.121.251.33NA1.070.600.62NA
3-hydroxylaurateME12471101.101.481.12NA0.990.680.63NA
Malachite greenME12486491.141.501.07NA1.020.720.56NA
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamideME12484481.271.351.05NA1.140.510.68NA
CilostamideME12483451.361.431.05NA0.970.590.59NA
3-Methylsulfinylpropyl isothiocyanateME12482791.291.191.57NA0.660.680.62NA
Ethyl 3-(methylthio)butanoateME12483781.411.141.39NA0.720.730.60NA
Mitomycin AME12486681.331.131.49NA0.730.730.58NA
PhellodendrosideME12485391.330.991.52NA0.750.740.66NA
Senkyunolide HME12469331.311.061.40NA0.810.740.68NA
Gymnasterone CME12480581.361.151.30NA0.780.970.45NA
Leu Val AspME12478221.341.041.34NA0.790.910.59NA
SulfuretinME12469531.401.121.28NA0.660.900.65NA
ValyllysineME12476331.451.171.16NA0.690.830.70NA
Hydroxyprolyl-ArginineME12472281.571.151.29NA0.650.860.49NA
LysylprolineME12472681.541.251.21NA0.570.810.62NA
PG(16:0/12:0)ME12480341.451.341.26NA0.560.860.53NA
3,4-Dimethoxyphenylacetic acidME12471391.171.361.24NA0.620.880.73NA
Limonenecarboxylic acidME12474481.231.341.23NA0.730.870.61NA
LysoPE(0:0/16:0)ME12473231.321.281.16NA0.590.780.88NA
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanolME12487111.261.291.08NA0.660.930.79NA
TryptopholME12471681.271.391.11NA0.660.810.76NA
N2-Acetyl-L-aminoadipate semialdehydeME12476151.181.441.19NA0.730.710.76NA
N1-(2-Hydroxyethyl)flurazepamME12485161.191.461.30NA0.660.760.62NA
AllobarbitalME12484041.331.471.30NA0.530.720.66NA
1-Cyclohexenecarboxylic acidME12475051.281.471.26NA0.650.670.67NA
Arg Phe AlaME12485941.331.431.27NA0.670.670.63NA
Aminomethanesulfonic acidME12472781.421.281.24NA0.740.640.68NA
FlucytosineME12484741.401.271.28NA0.720.640.69NA
2-Aminopropane-1,3-dithiolME12472691.381.281.21NA0.720.690.71NA
AllantoinME12481751.411.261.19NA0.770.660.71NA
3,4-DimethoxypropiophenoneME12477161.331.341.22NA0.610.740.75NA
(+-)-Perrillic acidME12479791.301.331.30NA0.690.630.75NA
Garcinia acidME12483161.311.311.21NA0.730.690.75NA
8-OxoguanineME12483971.301.261.29NA0.710.690.75NA
METHACRYLOYL CHLORIDEME12481841.331.301.26NA0.680.720.71NA
MelamineME12484891.431.251.09NA0.870.680.68NA
3-Chloro-L-tyrosineME12487181.271.311.20NA0.810.660.75NA
7-MethylxanthineME12479711.361.281.18NA0.860.630.69NA
CanrenoneME12481281.121.331.31NA0.540.830.87NA
Soyacerebroside IME12476491.131.221.39NA0.630.780.84NA
8-AzahypoxanthineME12472721.191.301.37NA0.650.680.81NA
Myrtucommulone GME12478581.191.291.33NA0.640.700.85NA
3-(3-Amino-3-carboxypropyl)uridineME12483221.191.271.29NA0.690.740.82NA
(9Z,12Z)-3-HydroxyhexadecadienoylcarnitineME12482351.221.291.31NA0.650.770.76NA
NordercitinME12475381.151.291.23NA0.690.790.86NA
PirbuterolME12473601.171.371.24NA0.660.760.80NA
2-Amino-5-chlorobenzoxazoleME12484811.211.221.30NA0.790.680.79NA
DehydroepiandrosteroneME12473101.181.191.33NA0.810.690.80NA
Thymine dimerME12487411.221.271.22NA0.770.700.82NA
AminofurantoinME12472731.201.261.29NA0.770.710.77NA
1,4-Dithiane-2,5-diolME12472261.231.231.25NA0.760.740.79NA
2,4-DinitrophenylhydrazineME12487501.231.221.26NA0.760.720.80NA
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazolineME12483111.251.231.28NA0.740.690.81NA
5-HydroxyisourateME12483021.251.241.26NA0.750.710.80NA
GlucosamineME12471571.231.271.42NA0.800.620.66NA
PhytosphingosineME12474761.231.251.35NA0.810.670.68NA
PseudoprotodioscinME12485071.241.241.30NA0.800.750.67NA
SanteneME12475041.281.161.34NA0.810.700.72NA
Aikupikanyne AME12475181.321.181.34NA0.670.750.73NA
depudecinME12480621.291.281.34NA0.590.740.75NA
XanthopterinME12484401.311.271.34NA0.630.690.76NA
3-(3,4-Dihydroxyphenyl)-1-propanolME12475741.311.321.40NA0.690.690.60NA
1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-oneME12479151.221.331.37NA0.690.670.71NA
Fomecin BME12478941.201.311.34NA0.730.720.71NA
Nopalinic acidME12483921.231.351.39NA0.600.690.73NA
ReptosideME12479351.241.351.39NA0.670.610.74NA
Millettocalyxin AME12485711.361.060.95NA0.860.920.86NA
MethanethiosulfonateME12482241.291.151.02NA0.900.770.87NA
N-Acetyl-L-carnosineME12481671.401.180.93NA0.920.720.85NA
1,3-DIMETHYLURIC ACIDME12484591.341.051.20NA0.790.780.83NA
(R)-(Homo)2-citrateME12487571.401.181.15NA0.800.690.78NA
5-Acetylamino-6-formylamino-3-methyluracilME12483761.331.151.23NA0.790.750.75NA
EtofyllineME12484671.361.191.20NA0.790.710.75NA
Asn Thr HisME12485041.311.151.19NA0.720.760.88NA
(-)-SyringaresinolME12469761.251.151.14NA0.720.760.99NA
Nicotinic acid ribosideME12469971.261.251.17NA0.740.830.75NA
Capsi-amideME12477381.241.191.20NA0.810.790.77NA
SinapaldehydeME12469561.231.201.19NA0.780.820.78NA
Asymmetric dimethylarginineME12471191.251.151.16NA0.800.790.85NA
1,2-NaphthoquinoneME12478981.251.221.09NA0.780.790.87NA
Uric acidME12484621.281.201.06NA0.780.790.88NA
DemethoxycurcuminME12470381.481.340.95NA0.790.680.74NA
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyneME12472341.321.271.06NA0.830.610.90NA
TriacetinME12484511.361.281.05NA0.830.630.86NA
12-AcetoxyeremophileneME12477371.431.281.11NA0.770.640.78NA
Allantoic acidME12484721.341.281.12NA0.800.680.78NA
LumazineME12481791.391.251.02NA0.830.730.78NA
AndrachcinidineME12476821.341.251.07NA0.770.730.84NA
N-(9-oxodecyl)acetamideME12472951.391.231.08NA0.700.760.84NA
1,2-Dihydroxy-8-methylnaphthaleneME12474521.491.171.00NA0.620.790.94NA
Dimethyl Citric acidME12480991.321.091.08NA0.760.681.07NA
N-decanoylglycineME12485800.971.411.09NA0.760.800.98NA
SarcostinME12480231.111.381.11NA0.730.710.96NA
Methyl 1-(methylsulfinyl)propyl disulfideME12484201.121.261.14NA0.700.830.94NA
Pro IleME12476111.111.331.15NA0.670.820.92NA
PA(i-19:0/12:0(3-OH))ME12484271.301.151.01NA0.680.940.93NA
PhloroglucinolME12475691.251.091.06NA0.760.860.98NA
carbidopaME12474301.111.221.13NA0.770.940.83NA
4-GuanidinobutanalME12477141.141.191.14NA0.660.940.94NA
Palmitoyl N-IsopropylamideME12477451.191.171.11NA0.690.890.95NA
3-Amino-2-piperidinoneME12470101.041.391.02NA1.020.810.71NA
PE(18:1(12Z)-O(9S,10R)/P-16:0)ME12481971.011.301.06NA1.010.870.74NA
Ophthalmic acidME12484601.181.201.02NA0.940.950.72NA
2-Amino-1-phenylethanolME12470141.151.300.99NA0.881.000.67NA
3-(4-Methyl-3-pentenyl)thiopheneME12482431.191.321.01NA0.870.950.66NA
L-PhenylalanineME12471601.201.321.01NA0.860.950.66NA
ChaksineME12487751.161.300.93NA0.900.860.84NA
Questiomycin AME12472161.141.321.11NA0.860.740.84NA
SpirodysinME12477081.221.311.02NA0.910.770.77NA
ent-Alpinnanin BME12485761.161.141.20NA0.980.880.63NA
N,N-DimethyldodecylamineME12473171.141.251.22NA0.930.810.65NA
(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acidME12472661.351.201.17NA0.920.770.58NA
MG(0:0/20:0/0:0)ME12482601.291.041.23NA0.930.850.65NA
Pro Phe AsnME12477661.091.191.21NA0.891.030.60NA
1,1^-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone]ME12482131.201.181.23NA0.780.960.65NA
2-MethylnaphthaleneME12477031.151.191.19NA0.760.990.73NA
1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-oneME12486750.991.021.26NA0.891.020.83NA
AnisomycinME12480981.061.011.35NA0.880.930.77NA
(2S,5S)-trans-CarboxymethylprolineME12476441.071.071.15NA0.950.960.78NA
Picolinic acidME12471541.121.111.13NA0.970.900.77NA
Uridine 2^,3^-cyclic phosphateME12483931.051.141.20NA0.860.990.76NA
DehydrooreadoneME12474271.111.091.16NA0.830.960.86NA
TetralinME12474611.081.111.20NA0.850.910.85NA
5,7,3^,5^-Tetrahydroxy-3,6,4^-trimethoxyflavoneME12486831.021.351.24NA0.880.840.67NA
TecomineME12478841.011.211.27NA0.830.870.81NA
Speciosin DME12479461.121.231.23NA0.800.780.84NA
(2Z,4Z)-2-Hydroxyhexa-2,4-dienoateME12485581.151.301.19NA0.780.820.76NA
AS 1-5ME12484121.091.301.23NA0.750.860.77NA
MearsineME12478811.311.041.18NA0.930.680.87NA
1,8-DimethylnaphthaleneME12476471.201.101.23NA0.920.670.87NA
(R,R)-(+)-HydrobenzoinME12481311.211.211.22NA0.890.640.84NA
His Ile AsnME12478741.101.231.17NA0.960.790.76NA
Phthalic acidME12471061.101.231.15NA0.950.780.80NA
Myxopyronin BME12487151.111.181.19NA0.870.740.91NA
LactarazuleneME12477071.081.101.21NA0.910.780.91NA
2,4,6-Trihydroxybenzoic acidME12481471.171.111.20NA0.880.770.87NA
L-Glutamic acidME12471611.111.121.22NA0.910.800.83NA
Crenulatoside CME12477890.821.571.50NA0.710.570.83NA
STIGMASTA-4,22-DIEN-3-ONEME12484300.791.501.59NA0.560.710.86NA
p-CresolME12471261.181.021.66NA0.790.590.76NA
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerolME12484260.971.191.86NA0.810.620.56NA
Quercinic acid CME12479781.041.281.83NA0.730.510.61NA
N-BenzylformamideME12475071.191.211.77NA0.630.650.56NA
(6E,10E)-2,6,10-Trimethyldodeca-2,6,10-trieneME12472251.111.161.75NA0.640.630.70NA
UralenneosideME12481881.031.171.70NA0.690.640.77NA
(1R)-2-Oxo-3,4-dehydroneomajucinME12478701.091.291.53NA0.620.750.72NA
(+)-Clavicoronic acidME12485660.951.181.33NA0.750.781.01NA
(6R,9R)-RoseosideME12476680.931.081.43NA0.910.621.03NA
D-alpha-TocopherylquinoneME12472020.971.131.45NA0.820.680.95NA
MicrolepinME12487381.011.141.61NA0.760.600.87NA
alpha-TocomonoenolME12473250.991.151.59NA0.880.610.79NA
hinokitiolME12474530.991.111.54NA0.890.660.83NA
3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acidME12483571.041.141.39NA0.830.810.79NA
Heteroplexisolide EME12474331.091.081.39NA0.880.710.85NA
SalidrosideME12481631.171.041.44NA0.690.770.89NA
Thioctic acidME12481651.071.081.39NA0.750.760.94NA
Methyl (9Z)-6^-oxo-6,5^-diapocaroten-6-oateME12479321.191.111.49NA0.710.700.78NA
(E,Z)-2,4-DodecadieneME12481811.021.041.50NA0.790.780.87NA
trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acidME12485191.091.181.43NA0.750.690.86NA
1,4-UndecadieneME12482671.041.131.55NA0.740.730.81NA
Rumphellolide FME12476371.031.151.52NA0.750.700.84NA
trans-NerolidolME12469031.101.211.70NA0.510.401.08NA
11beta,21-Dihydroxy-5beta-pregnane-3,20-dioneME12479701.021.171.55NA0.600.671.00NA
9-phenanthryl hydrogen sulfateME12485601.081.321.41NA0.620.501.07NA
L-TheanineME12471401.651.230.89NA1.030.450.75NA
2^-AcetylacteosideME12481101.321.200.68NA0.930.871.00NA
DemethylphylloquinolME12480291.481.160.73NA0.940.800.90NA
9-Octadecen-1-amineME12472521.700.981.06NA0.451.070.73NA
L-Pipecolic acidME12470921.461.151.01NA1.170.760.45NA
Scutellarein 7,4^-dimethyl ether 6-glucosideME12473891.690.791.13NA1.040.630.72NA
Glu-GlyME12474411.460.881.08NA1.120.880.58NA
4,7-Dimethyl-1-tetraloneME12474511.540.960.94NA1.100.690.78NA
CrenulatinME12481151.390.901.07NA1.020.790.83NA
LysopineME12478351.631.030.68NA1.040.940.69NA
Ile Pro ValME12475901.751.040.75NA0.901.100.48NA
Glu Val IleME12478241.510.900.73NA1.051.260.55NA
Tyr MetME12487731.510.980.81NA0.981.230.49NA
DonaxaridineME12476121.631.330.87NA0.750.850.57NA
H-Ser-Tyr-OHME12479771.501.350.86NA0.810.890.60NA
beta-Alanyl-L-arginineME12477861.601.120.91NA0.890.860.63NA
Lys LeuME12476321.531.100.96NA0.860.870.68NA
Phe-argME12478651.551.170.99NA0.830.830.63NA
AlanyltyrosineME12472751.651.100.97NA0.810.780.68NA
LysylphenylalanineME12473461.651.180.90NA0.800.860.62NA
Lys Ile IleME12480211.611.050.91NA0.881.010.54NA
TriglymeME12484541.640.970.93NA0.860.940.65NA
ValylasparagineME12482511.571.040.92NA0.781.000.68NA
6-MethylflavoneME12481141.521.210.98NA0.900.990.40NA
7-MethoxyflavoneME12480851.771.150.97NA0.770.910.44NA
Leu Lys PheME12486511.671.191.09NA0.760.830.46NA
L-Proline, 1-(1-L-leucyl-L-prolyl)-ME12472331.571.121.07NA0.721.020.50NA
Val AlaME12480431.681.101.02NA0.660.990.54NA
CytarabineME12478361.661.241.13NA0.570.960.44NA
3,7-DimethylguanineME12474921.611.270.92NA0.711.000.49NA
CytosineME12474641.541.311.05NA0.621.000.49NA
Gln Leu ValME12475411.311.011.15NA0.681.110.74NA
AbbeymycinME12487091.321.181.07NA0.880.970.58NA
TyrosylglycineME12483281.311.111.06NA0.890.990.65NA
Limazepine AME12485851.301.081.15NA0.831.070.57NA
Val-pro-proME12483361.401.011.09NA0.801.140.56NA
H-LEU-LEU-ALA-OHME12473411.460.950.94NA0.831.180.64NA
LemborexantME12483061.470.910.90NA0.881.080.75NA
Lys Val LeuME12479751.361.030.81NA0.981.160.66NA
Phe ThrME12480091.341.100.85NA0.911.120.68NA
Gama-glutamylalanineME12471161.290.991.00NA0.921.070.73NA
Val Val LeuME12480161.310.970.98NA0.931.150.67NA
4beta,24S-dihydroxycholesterolME12475981.381.100.96NA0.860.990.72NA
Antibiotic Tue 2480F1ME12487711.311.080.93NA0.941.030.71NA
2,5-Bis(acetylamino)pentanoic acidME12472641.301.130.95NA0.881.120.62NA
Prolyl-Gamma-glutamateME12472701.391.040.94NA0.861.100.66NA
Gln Leu LeuME12474721.480.970.87NA1.081.010.60NA
Leu-Gly-GlyME12477951.481.010.91NA0.990.930.69NA
H-Glu-Lys-OHME12479431.501.010.96NA0.920.940.68NA
Thr LeuME12474281.471.030.99NA0.890.970.65NA
N-Alpha-acetyllysineME12471181.481.120.89NA0.831.040.63NA
(2E)-hexenedioylcarnitineME12486451.421.061.00NA0.991.030.50NA
Tyr Leu ValME12487461.461.040.92NA0.941.060.58NA
3-(2-Hydroxyethyl)histidineME12482201.411.060.96NA0.921.060.60NA
AdenineME12473751.381.080.98NA0.961.040.56NA
MetomidateME12482501.141.740.87NA0.701.060.48NA
LysoPE(20:4)ME12486001.051.590.81NA0.601.280.66NA
OleandroseME12478531.201.440.99NA0.611.170.59NA
PhenaleneME12475730.821.191.53NA0.721.230.51NA
L-XyluloseME12481621.031.331.24NA0.961.050.40NA
6E-Geranylgeraniol-19-oic acid-1-O-methyl etherME12473380.911.521.33NA1.030.670.55NA
N^-NitrosoanatabineME12487230.841.701.33NA0.850.890.40NA

Factors:

F1Sample source:Aboveground | Drought_Intensity:Control
F2Sample source:Aboveground | Drought_Intensity:Light Drought
F3Sample source:Aboveground | Drought_Intensity:Moderate Drought
F4Sample source:Aboveground | Drought_Intensity:Severe Drought
F5Sample source:Root | Drought_Intensity:Control
F6Sample source:Root | Drought_Intensity:Light Drought
F7Sample source:Root | Drought_Intensity:Moderate Drought
F8Sample source:Root | Drought_Intensity:Severe Drought
Data matrix
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