Clustering data with hclust algorithm for Metabolic signatures of NAFLD - Polar metabolomics data (part II) (Study ST001711)

GC UNSPECIFIED ION MODE (Analysis AN002786)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61F62F63F64F65F66F67F68F69F70F71F72F73F74F75F76F77F78F79F80F81F82F83F84F85F86F87F88F89F90F91F92
Linoleic AcidME399251-1981.20NA-1254.33-306.03-1009.04-1099.89-367.04-267.77NANANANANANANANANA-710.01NANA-88.55-404.94-555.40NANANANA-1104.60-54.53-682.84-860.49NA-424.97NA-361.53-491.34NANA-189.90-59.76NA-117.80-387.27-224.82NANANA-129.75-450.54NA-21.02-104.05-542.32-307.31NA-144.80NA-1251.32NA-106.55-974.12NANANANA-265.41-328.79-350.72-437.27-679.31-85.08NA-81.37-1373.87NANA-210.41NA-102.79NA-142.57-554.78-261.64NA-582.87-371.52-496.99-634.44-352.73-93.25NANA
MethionineME39925478.94NA174.515.3980.96NA6.93NANANANANANANA155.3748.6259.90NA12.20NANANANA98.32NANANA53.72NA105.3977.92NA35.12NA15.00NANA53.6180.4828.85NA17.13111.2237.00NA122.27NANA51.53NA31.1932.6212.2570.73NA70.20NANA34.7146.0126.61NA17.32NA62.47NA78.03NA18.32683.70NANANANA19.4614.5518.191205.339.7461.2658.5454.29NA50.48NA46.4430.61NA103.0348.71474.6721.85
SerineME399259350.46NA244.42141.25NA16.536.50NA37.34NANANA84.16NA86.2048.7691.43NA11.80NA16.55NANANA35.544.35NANANA16.94304.69NA127.5043.7077.21105.23NA17.98NA75.56NA4.0781.0655.28NA34.44NANA412.19NANANA79.07NANA52.43NANA57.50NA132.06NA5.15NA81.72NA85.86NANA105.26NA171.76137.93309.69152.60NA3.25164.54NA58.82NANA190.51NANANANA428.20144.70NANA89.50
Decanoic acidME399239NA-25.79-38.17NANANANA-9.64-7.93-47.60NA-71.86NA-72.92NA-19.90-44.57-39.35-307.06-35.66-1.23-3.27NA-70.12-28.75-14.28NANA-7.89-18.67NANANANA-9.48NANA-47.35-47.15NA-5.06-4.91NANANANANANA-59.93-10.05NANANANA-14.63NA-17.78-3.03-1.70-1.70NA-35.70NANANANANANANA-316.86-10.50-195.62-42.60-369.51NANA-180.49-276.75NA-159.33-3.35-52.77-142.15NANA-117.09NA-91.44-7.22NA-241.92-8.30
Glycerol-3-PME39924444.86NA77.3133.43NA11.85NA10.6412.8817.01NANA6.82NANA20.758.29NA9.76NANA37.074.7567.161.41NANANA2.3030.14NANANANA36.5572.50NANA29.95NANANA39.0818.4635.22NANANA97.915.6333.96NA0.19NANA3.75NA12.72NA32.70NANANANA12.56NA30.15NANA329.0421.41NANANANANA22.16NA79.75NA34.0323.5684.8121.0018.8726.80NA71.01NA7.24278.3372.93
ProlineME399258-32.92NA-69.97NANA-57.35-0.91NANA-70.19NA-8.92-33.97NA-172.55NA-38.87NA-130.41-9.69NANA-40.07-100.36NANA-77.95-28.71-14.56NA-99.24-129.68-15.47-32.41NA-72.53-8.29-13.01NA-104.48-27.04NA-1.63-100.90NANA-19.29-2.89NANA-29.65NA-59.96-95.23-31.58-19.12NANA-42.85NA-39.10NANANA-17.18NA-39.87-43.21-91.88NANA-54.92-39.19-68.43-69.74-34.98-24.64-49.41-26.00-121.93NA-83.95-10.76NA-23.06NANA-122.31-78.22-11.04NANA
2-OH-Butanoic AcidME39922949.2614.38NANA26.2589.66NA8.3010.83NANANA6.54NANA0.8321.5648.0849.266.7855.7153.6646.1612.0922.35167.3019.42NA70.08NANANANA1.22NA5.737.51NA8.6558.11NANA11.5914.50NA131.06NA10.35NANANA43.7122.03102.71NA54.9156.53120.58NA32.75NANANA21.98NANANANANA10.0230.6273.9921.204.52NANANANA22.90NANA0.09NA63.8545.848.65NA127.7918.46NANANA
PhenylalanineME399257-57.06NA-58.28-64.11NA-2.02-18.80NANANANANA-4.70NA-16.90-1.02NA-5.20-3.70NANANANANA-6.52-7.79NA-41.06NA-47.75-37.64NA-7.77NA-10.94-36.25NANA-0.37-37.30NA-8.22-23.89-9.24NA-14.09NA-1.43-102.01NA-3.78NA-9.16-4.95-3.22NANANA-23.22-26.69-26.17NANANA-33.25NA-51.10NA-5.22NA-3.53-63.84-35.36-63.93-20.54NANANANA-3.11NANA-20.18NA-2.70NA-8.71-123.03-32.13NANA-20.19
CholesterolME3992370.1213.40NA5.9421.388.4011.5113.181.545.155.08NA4.86NA13.10NA4.5023.67NANA9.8820.44NANA11.64NA20.6515.5022.963.93NANA3.08NANA5.5212.33NA16.0711.52NA7.460.3122.9319.3323.11NA0.2616.4416.47NANANA34.43NANA11.94NA15.802.29NANANANA2.6318.361.896.471.4452.9110.00NA4.50NANANA15.42NANA8.0230.9539.087.996.3614.76NA1.526.28NA4.3741.43NA
LysineME399252-20.60NA-61.85-6.11-21.64-11.60-16.64-16.71NANA-13.35NANANA-43.34NANA-33.95-31.65-38.07NA-12.23NA-8.07NANA-8.84-31.33NA-20.08-34.66NA-3.34NA-9.59-21.29NA-0.88NA-14.91NA-7.61-33.61-5.07-9.45NA-3.39-15.69-20.69-0.99-15.21-13.81-0.03-44.52NANANA-24.21NA-35.76-16.05NANANANANA-12.00-7.71-5.00NA-24.05NANA-1.22NA-1.18-25.62NANANA-10.40-8.19NA-4.30-11.52-4.35-36.07-11.21-36.60-28.14NA-0.25
GlycineME399245NA-7.66-11.49-16.39-3.63-13.00-14.02-11.09-8.71NANANA-5.09NA-7.75NANA-19.92NANA-3.69-6.94NANA-8.92-5.34NA-19.92-0.28-20.56-2.71-2.60-8.68-0.09-5.11-11.01NANANANANA-1.28-13.21-15.30NA-7.28NA-2.01-17.93-13.42-3.28-1.56-12.50-10.27NANA-9.85-4.86NA-20.41-1.75-2.91-4.01-14.91-12.20NA-7.03NANANANA-33.11NA-19.89NANA-17.41NANANANANANANANANA-14.04-44.08-3.23-10.59NA-1.13
AsparagineME399235-6.97NA-23.26-14.20-2.00NA-1.52-0.94-0.04NA-1.50-4.03-2.85NA-16.06NANA-7.40-1.89-5.89NANA-2.54NANANANA-17.00NA-3.20-21.27NA-5.91-3.45-5.70-13.76NA-1.41NA-11.35NANA-2.52-9.23NANA-1.45-1.92-27.71NA-0.09NA-4.59-14.99NANANANANA-4.42-10.33NANANA-0.15NA-9.99NA-4.30NANANANANA-3.31-2.72NANA-0.35NANA-3.75NANA-0.08NA-3.45-0.51-16.09-7.24NA-4.71
Palmitic AcidME399256-0.48NA-2.02-3.78-3.51-1.35-7.05-6.31-5.36NA-1.96-0.36-2.19NA-5.84NANANANA-2.04-2.96NA-8.34NA-3.30-4.99-9.37NA-0.06-12.25NANA-4.67NANA-5.69-0.70NANA-3.21-1.79NA-4.52NANANA-6.07-4.71-11.82-0.54-0.63-0.91-12.69-15.42-2.01-1.17-4.41-7.55-2.49-1.59NANANA-9.01NA-20.37-6.46-7.64-4.89NANA-14.21NA-14.63NANA-1.41NANANANANANANA-11.91NA-1.96-10.70NANANA-2.62
Indole-3-Latic AcidME399246-0.29-0.29-3.78-1.72-0.59-4.76-2.32NA-1.07NA-3.79NA-0.39NA-9.17NANA-2.85NANANA-5.17-1.21-0.31-0.87-4.23-2.33-11.85-0.21-4.56-0.59-1.17NANA-0.91NANANA-0.36NANANA-2.39NA-3.78-0.29NANA-5.51-1.13NANA-0.65-7.25NANA-0.34-0.44-0.29NA-1.34NA-1.29-2.42-2.45-0.44-2.70-2.85-0.86NANANANANA-0.44NANANANANANANANANANANANANA-4.93NANA-0.14
TyrosineME399263-6.18-4.43-6.47-3.17-3.20-3.99-3.02NA-0.37NA-2.80NA-1.49NA-2.80NANA-3.22NANANA-2.39-1.52NA-0.97-2.00-2.87-4.61-2.08-3.35-3.66-2.17NANA-0.89NANA-0.70-0.75NANANA-4.53NA-2.04-0.17NANA-3.52-2.93NANANA-6.50NANA-0.31-4.23-4.09NA-3.15-0.97-2.59-2.10-5.40NA-3.04-1.53-3.70-1.15NANANANA-0.80NANA-1.87NA-1.15NANANANANANANANA-6.53NA-2.60-5.12
3-OH-Benzoic AcidME399230-3.47-2.82-2.82-2.82-2.82-3.25-3.21NA-1.57NA-2.93NA-1.41-2.82-2.82NANA-2.82NANANA-3.24-2.82NA-3.66-3.03-2.82-3.47-2.82-3.78-2.82-2.82NANA-0.78NA-2.82-0.33-0.69NANANA-2.82NA-2.82-2.82NANA-3.47-3.66NANA-0.69-2.82NANA-1.48-2.82-2.82NA-2.82-3.14-3.00-3.03-3.03-2.82-3.14-2.82-2.82NANANANANA-2.82NANANANA-2.82NANANANANANANANA-3.43NANA-2.82
5-OH-1H-Indole-3-Acetic AcidME399232-2.92-2.92-2.92-2.92-2.92-2.92-3.00NA-1.39NA-2.99NA-1.46-2.92-3.05NANA-2.92NANANA-3.01-3.11NA-2.96-3.05-3.05-4.98-2.92-3.11-2.92-2.92NANA-0.84NA-2.92-0.26-0.60NANANA-2.96NA-2.92-2.99NANA-3.92-2.96NANA-0.56-3.18NANA-1.26-2.92-2.92NA-2.99-2.92-2.98-2.96-2.96-3.05-2.95-2.95-2.99NANANANANA-2.92NANANANA-2.92NANANANANANANANA-2.99NANA-3.05
ValineME3992644.36NA55.68NANA23.356.68NA7.76NANA0.76NANANANA6.90NA7.990.38NA7.45NA19.6028.029.267.80NA10.032.95NA45.15NA4.86NA22.95NANA1.37NANANA8.988.74NA19.118.797.6020.860.95NA11.047.2341.550.875.4112.2064.142.224.43NANA1.6923.759.578.3618.09NANANANA28.433.051.50NA4.92NANANANANA1.01NA9.538.56NA14.7869.288.54NANA23.19
IsoleucineME39924852.748.3912.067.46NANA3.87NANANANANA9.82NA5.7214.0815.65NA6.85NANA7.0720.139.36NANANANANANA32.5315.608.49NANA5.58NA5.44NA27.60NANA8.4513.01NA18.160.162.8969.20NA3.090.0416.55NA5.7726.149.96NANANA5.67NA5.37NANANA9.99NANA41.32NA26.6027.7311.43NA6.13NA56.18NANANA19.369.861.291.4412.99NA60.09NANA8.29NA
Aspartic AcidME39923641.87NA50.8729.57NANA13.650.7312.62NANA4.778.98NA1.069.241.956.90NANANANANANA14.2115.10NANANA32.9413.36NA10.183.8610.8024.84NANA7.6010.31NA6.5715.2420.04NANANANA99.05NANA3.4011.90NANA6.3512.091.634.4419.814.54NANANA8.78NA22.26NANA16.295.1175.1838.7188.6222.30NANANANANANANA31.08NANANANA144.1017.76NANA4.17
Glutamic AcidME39924215.67NA3.7528.71NANA5.0215.89NANANANA10.45NA14.781.112.52NA4.86NANANANANA11.575.1812.025.28NA23.2214.5615.40NA2.975.3234.39NANA0.474.947.994.96NA20.3920.49NANANA11.54NA7.298.426.56NA12.904.322.536.0012.1717.45NANANANA9.36NA31.48NANANA2.4071.1723.1656.05NA10.14NANA36.5325.41NANA19.35NANANANA84.806.40NANANA

Factors:

F1NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:1 | Inflammation:-
F2NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:1 | Inflammation:1
F3NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:1 | Inflammation:3
F4NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:2 | Inflammation:1
F5NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:2 | Inflammation:2
F6NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:1
F7NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:2
F8NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:-
F9NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:1
F10NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:2
F11NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:-
F12NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:1
F13NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:2
F14NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:3
F15NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:3 | Inflammation:-
F16NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:3 | Inflammation:1
F17NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:3 | Inflammation:2
F18NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:NA | Inflammation:1
F19NAFLD.Category:1 | T2DM:N | Kleiner.Steatosis:NA | Inflammation:NA
F20NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:-
F21NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:1
F22NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:2
F23NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:-
F24NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:1
F25NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:-
F26NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:1
F27NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:2
F28NAFLD.Category:1 | T2DM:Y | Kleiner.Steatosis:- | Inflammation:2
F29NAFLD.Category:2 | T2DM:NA | Kleiner.Steatosis:2 | Inflammation:2
F30NAFLD.Category:2 | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:1
F31NAFLD.Category:2 | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:2
F32NAFLD.Category:2 | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:3
F33NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:-
F34NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:1
F35NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:2
F36NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:1 | Inflammation:3
F37NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:-
F38NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:1
F39NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:2
F40NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:2 | Inflammation:3
F41NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:3 | Inflammation:1
F42NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:3 | Inflammation:2
F43NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:3 | Inflammation:3
F44NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:- | Inflammation:-
F45NAFLD.Category:2 | T2DM:N | Kleiner.Steatosis:NA | Inflammation:2
F46NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:-
F47NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:1
F48NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:2
F49NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:3
F50NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:-
F51NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:1
F52NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:2
F53NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:3
F54NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:NA
F55NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:1
F56NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:2
F57NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:3
F58NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:NA | Inflammation:1
F59NAFLD.Category:2 | T2DM:Y | Kleiner.Steatosis:NA | Inflammation:2
F60NAFLD.Category:4 | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:1
F61NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:1 | Inflammation:1
F62NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:1 | Inflammation:3
F63NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:2 | Inflammation:1
F64NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:2 | Inflammation:2
F65NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:2 | Inflammation:3
F66NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:-
F67NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:1
F68NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:3 | Inflammation:2
F69NAFLD.Category:NA | T2DM:NA | Kleiner.Steatosis:NA | Inflammation:NA
F70NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:1 | Inflammation:-
F71NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:1 | Inflammation:1
F72NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:1 | Inflammation:2
F73NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:2 | Inflammation:1
F74NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:2 | Inflammation:2
F75NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:3 | Inflammation:-
F76NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:3 | Inflammation:1
F77NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:- | Inflammation:-
F78NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:- | Inflammation:1
F79NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:- | Inflammation:3
F80NAFLD.Category:NA | T2DM:N | Kleiner.Steatosis:NA | Inflammation:NA
F81NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:-
F82NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:1
F83NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:1 | Inflammation:2
F84NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:1
F85NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:2 | Inflammation:2
F86NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:1
F87NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:3 | Inflammation:2
F88NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:- | Inflammation:1
F89NAFLD.Category:NA | T2DM:Y | Kleiner.Steatosis:NA | Inflammation:NA
F90NAFLD.Category:- | T2DM:N | Kleiner.Steatosis:- | Inflammation:-
F91NAFLD.Category:- | T2DM:Y | Kleiner.Steatosis:- | Inflammation:-
F92Sex:NA | NAFLD.Category:1 | T2DM:NA | Kleiner.Steatosis:1 | Inflammation:1
Data matrix
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