Clustering data with hclust algorithm for (Study ST000695)
(Analysis AN001075)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- | ME195600 | NA | NA | 0.44 | 0.85 | 0.39 | 1.15 | 2.48 | 0.37 | 1.45 | 0.61 | 1.27 | NA | 2.76 | 0.79 | NA | NA | 1.24 | NA | NA | NA | 0.63 | NA | 1.21 | NA | 0.47 | NA | 0.61 | 0.78 | NA | NA | 1.51 | 1.38 | 0.62 | 1.58 | NA | 1.65 | 1.10 | NA | 0.24 | 1.13 | NA | NA | 0.89 | 0.68 | 1.54 | 0.26 | NA |
| 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- | ME195607 | 0.71 | 0.88 | 1.04 | 1.26 | 0.53 | 1.68 | 2.93 | 1.40 | 1.35 | 0.51 | 1.59 | 1.18 | 2.07 | 0.67 | 0.58 | 0.84 | 1.43 | 0.73 | 1.87 | 0.69 | 0.87 | 0.66 | 0.21 | 0.63 | 1.20 | 0.53 | 1.04 | 1.11 | 0.50 | 0.68 | 0.43 | 1.67 | 0.55 | 1.83 | 0.46 | 0.99 | 0.54 | 1.43 | 0.80 | 0.82 | 0.29 | 1.44 | 1.95 | 0.76 | 2.75 | 0.72 | NA |
| 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- | ME195604 | 0.39 | 0.64 | 1.31 | 1.41 | 0.78 | 1.31 | 1.00 | 0.49 | 0.95 | 1.01 | 0.77 | 1.14 | 2.52 | 1.03 | 0.75 | 0.83 | 0.93 | 0.88 | 1.89 | 0.50 | 1.09 | 0.67 | 1.22 | 0.91 | 1.11 | 0.63 | 0.90 | 0.94 | 0.67 | 1.03 | 0.86 | 1.36 | 0.72 | 1.43 | 0.73 | 1.44 | 0.78 | 1.47 | 0.67 | 0.86 | 0.75 | 1.36 | 1.12 | 0.77 | 1.95 | 0.74 | NA |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- | ME195612 | 0.75 | 1.28 | 0.50 | 1.24 | 0.65 | 1.44 | 1.03 | 0.93 | 1.94 | 0.81 | 1.13 | 1.19 | 1.05 | 0.78 | 0.39 | 1.88 | 0.87 | 0.70 | 4.01 | 0.80 | 1.05 | 0.94 | NA | 1.54 | 0.88 | NA | 0.59 | 0.76 | 0.89 | 1.14 | 1.05 | 1.46 | 0.70 | 1.73 | 1.07 | 0.56 | 0.46 | 1.03 | 1.31 | 0.58 | 0.63 | 0.03 | 0.77 | 1.14 | 0.47 | 0.92 | NA |
| 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- | ME195603 | 1.12 | NA | 1.48 | 0.78 | 1.27 | 0.96 | 0.32 | NA | 0.28 | 0.88 | 0.62 | 0.52 | 0.73 | NA | 0.51 | 0.18 | NA | 1.03 | 0.42 | NA | 1.70 | 1.33 | 0.24 | NA | 1.95 | 1.61 | 0.90 | 0.25 | NA | NA | 0.96 | 0.45 | 1.63 | 1.18 | 1.76 | 1.58 | 0.47 | 3.85 | NA | NA | 0.57 | 0.52 | NA | 0.24 | NA | 1.09 | NA |
| 1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- | ME195596 | 1.65 | 0.97 | NA | 1.31 | 0.82 | 0.94 | 1.35 | 0.74 | 1.17 | 0.88 | 1.35 | 1.50 | NA | NA | NA | 0.50 | 1.07 | 0.83 | 0.77 | 0.87 | NA | 1.13 | 1.18 | NA | 1.14 | NA | NA | NA | NA | NA | 1.08 | 0.99 | 0.65 | 1.03 | 0.96 | NA | NA | 1.70 | 0.72 | 0.78 | 0.77 | NA | 1.18 | 0.75 | 0.52 | 0.71 | NA |
| 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- | ME195620 | 1.15 | 1.65 | 0.83 | 1.29 | 1.05 | 1.32 | 2.48 | 1.64 | 1.43 | 0.83 | 1.17 | 1.04 | 1.74 | 1.12 | 0.49 | 0.74 | 0.98 | 0.93 | 1.09 | 0.67 | 0.85 | 0.69 | 1.04 | 0.67 | 0.99 | 0.86 | 0.62 | 1.04 | 0.79 | 0.60 | 1.18 | 1.65 | 1.53 | 1.14 | 1.21 | 0.60 | 1.05 | 0.69 | 1.26 | 0.83 | 0.73 | 1.09 | 0.89 | 1.16 | 0.45 | 0.84 | NA |
| 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- | ME195610 | 0.38 | 0.98 | 0.87 | 0.83 | 1.10 | 0.88 | NA | NA | 1.05 | 0.72 | 1.08 | 0.81 | 1.25 | 0.60 | 1.10 | 0.51 | 0.94 | 1.25 | 0.61 | 0.79 | 0.73 | 0.52 | 0.73 | 0.42 | 1.18 | 0.86 | 1.10 | 0.91 | 1.49 | 1.84 | 1.06 | 1.53 | 0.87 | 1.34 | 0.93 | 1.06 | 1.12 | 1.19 | 1.50 | 1.05 | 1.07 | 0.97 | 1.23 | 1.07 | 0.88 | 0.86 | NA |
| 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- | ME195624 | 1.20 | 0.36 | 0.54 | NA | 0.40 | 0.75 | 2.37 | NA | NA | NA | NA | 0.50 | 1.77 | NA | NA | 1.04 | 0.25 | 1.32 | 1.28 | 0.76 | 1.07 | 0.65 | NA | NA | 0.35 | NA | 0.81 | 0.22 | 0.56 | NA | 0.45 | 2.69 | NA | NA | 1.25 | NA | 1.10 | 3.13 | 1.50 | 0.15 | 1.02 | 1.42 | NA | NA | NA | NA | NA |
| 1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- | ME195598 | 1.17 | 0.58 | 0.57 | 1.20 | 0.88 | 0.69 | 0.83 | 0.90 | 1.53 | 1.51 | 0.91 | 1.89 | 0.62 | 0.14 | 0.54 | 0.62 | 0.72 | 2.73 | 0.59 | 0.83 | 0.77 | 0.97 | 0.53 | 0.26 | 0.76 | 0.98 | 2.06 | 0.68 | NA | NA | 1.13 | 0.80 | 1.68 | 1.48 | NA | 0.43 | 0.69 | 0.39 | 0.96 | 0.43 | NA | 0.54 | 1.50 | 1.09 | 0.52 | 2.17 | NA |
| 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- | ME195623 | 1.37 | 1.38 | 1.04 | 1.15 | 0.39 | 1.16 | 3.18 | 1.83 | 0.75 | 1.14 | 1.01 | 0.81 | 0.62 | 0.41 | 0.84 | 1.40 | 0.96 | 0.84 | NA | 0.66 | 0.80 | 0.90 | 0.75 | 0.52 | 1.16 | 0.84 | 1.11 | NA | NA | NA | 0.91 | 0.85 | NA | 1.05 | 0.58 | 0.51 | 1.36 | 1.49 | 1.15 | 0.77 | 1.15 | 2.61 | 0.61 | 1.20 | NA | 0.39 | NA |
| 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- | ME195606 | 0.62 | 0.81 | 1.21 | 1.34 | 0.55 | 1.56 | 1.77 | 0.78 | 0.85 | 0.81 | 1.12 | 1.30 | 2.55 | 0.91 | 0.62 | 1.01 | 1.55 | 0.82 | 1.23 | 0.68 | 0.95 | 0.71 | 1.98 | 1.18 | 1.12 | 0.44 | 1.21 | 0.77 | 0.48 | 0.58 | 0.89 | 1.28 | 0.65 | 1.23 | 0.92 | 0.97 | 0.56 | 0.91 | 0.86 | 0.82 | 0.53 | 1.24 | 1.23 | 1.11 | 1.89 | 0.47 | NA |
| 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- | ME195614 | 0.95 | 0.99 | 0.77 | 1.04 | 0.73 | NA | 0.82 | 1.38 | 1.11 | 0.73 | 1.11 | 0.71 | 0.90 | 0.71 | 0.69 | 0.82 | 1.06 | 0.97 | 1.12 | 0.66 | 1.24 | 1.25 | 1.62 | 1.29 | 1.49 | 0.66 | 0.86 | NA | 0.77 | 0.92 | 0.91 | 1.41 | 1.42 | 1.19 | 1.46 | 0.46 | 0.89 | NA | 1.19 | 0.55 | 1.51 | 1.62 | 0.87 | 0.90 | NA | 0.63 | NA |
| 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- | ME195622 | 2.66 | 2.36 | 0.46 | 1.18 | 0.57 | 1.01 | NA | 1.28 | 1.26 | 0.85 | 0.87 | 1.37 | 0.96 | 0.47 | 0.59 | 1.73 | 1.21 | 0.61 | 1.27 | 1.16 | 0.65 | 1.27 | 1.88 | 1.89 | 1.16 | NA | 0.88 | 0.83 | 0.72 | 0.38 | 1.47 | 1.18 | 0.60 | 1.79 | 1.07 | 0.79 | 0.46 | 1.73 | 0.93 | 0.53 | 0.73 | 1.77 | 0.41 | 1.14 | 0.63 | 0.76 | NA |
| 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- | ME195615 | 0.75 | 0.97 | 0.73 | 1.34 | 0.95 | 1.11 | NA | NA | 0.77 | 0.84 | 0.33 | 1.01 | NA | NA | 2.29 | 2.07 | 0.46 | 0.82 | 1.63 | NA | 0.51 | 0.65 | 0.54 | NA | 0.81 | NA | 0.62 | 0.70 | NA | 0.40 | 1.65 | 0.84 | 1.00 | 0.91 | 3.24 | 0.59 | 0.65 | 0.61 | 2.14 | NA | 1.36 | 0.52 | NA | 0.65 | NA | 0.59 | NA |
| 1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)- | ME195599 | 5.52 | 2.78 | 0.81 | 1.01 | 0.79 | 0.75 | 0.20 | 0.44 | 1.75 | 1.00 | 1.05 | 0.79 | 0.97 | 0.04 | 0.37 | 0.67 | 0.66 | 2.21 | 0.41 | 0.74 | 0.83 | 0.52 | 4.10 | 1.09 | 0.95 | 1.18 | 1.01 | 0.61 | 0.09 | NA | 1.62 | 0.59 | 1.27 | 1.88 | 0.24 | 0.49 | 0.30 | 0.29 | 0.63 | 0.46 | 0.53 | 0.34 | 1.41 | 1.09 | 0.47 | 1.11 | NA |
| 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)- | ME195628 | 0.34 | 0.38 | 0.40 | 1.30 | 0.44 | 1.25 | 0.85 | 0.72 | 0.40 | 0.59 | 0.25 | 1.07 | 1.68 | 1.39 | 0.52 | 2.44 | 0.81 | 0.57 | 2.88 | 0.92 | 2.81 | 2.48 | 0.80 | 0.59 | 0.98 | 0.89 | 0.99 | 1.25 | 0.48 | 0.66 | 1.19 | 0.90 | 0.79 | 0.93 | 0.74 | 1.38 | 0.37 | 1.78 | 0.93 | 1.58 | 0.48 | 1.52 | 0.75 | 0.35 | 0.67 | 0.33 | NA |
Factors:
| F1 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F2 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F3 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F4 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F5 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F6 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F7 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F8 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F9 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F10 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F11 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F12 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F13 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
| F14 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
| F15 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
| F16 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F17 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
| F18 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
| F19 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F20 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
| F21 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
| F22 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
| F23 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F24 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F25 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F26 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F27 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F28 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F29 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F30 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F31 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F32 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F33 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F34 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F35 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
| F36 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
| F37 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F38 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
| F39 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
| F40 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
| F41 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F42 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
| F43 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
| F44 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
| F45 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
| F46 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
| F47 | CASE_CONTROL:POOLED | Chemotherapy:POOLED | Drug:POOLED | Race:POOLED | TIMEPOINT:POOLED | Tamoxyfen:- | Taxane:- |
