Clustering data with hclust algorithm for (Study ST000692)
(Analysis AN001069)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- | ME192956 | 1.37 | 0.94 | 1.06 | 0.81 | 1.81 | 0.87 | 0.98 | 1.14 | 1.06 | 0.16 | 1.31 | 0.10 | 1.30 | 1.10 | 1.43 | 1.02 | NA | NA | NA | NA | 0.85 | 0.89 | 1.15 | NA | 1.33 | 0.74 | 1.14 | 0.92 | 0.92 | NA | 0.49 | NA | 1.42 |
| 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- | ME192962 | 1.10 | 1.11 | 0.93 | 0.38 | 1.16 | 0.77 | 1.07 | 0.94 | 1.44 | 1.28 | 1.14 | 0.96 | 1.10 | 1.34 | 0.60 | 0.85 | NA | NA | NA | NA | 0.83 | 1.04 | 1.31 | 0.69 | 0.54 | 0.80 | 1.09 | NA | 1.52 | 0.63 | 1.19 | 0.88 | 1.01 |
| 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- | ME192973 | 1.25 | 1.56 | 0.83 | 0.58 | 1.11 | 1.33 | NA | NA | NA | NA | NA | 0.46 | NA | NA | 0.54 | NA | NA | NA | NA | NA | 0.84 | 1.51 | 0.84 | 0.82 | 0.85 | 1.01 | NA | NA | NA | 0.81 | 0.69 | 0.50 | NA |
| 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- | ME192975 | 0.77 | NA | 0.17 | 0.24 | NA | 0.47 | 0.86 | 2.22 | 2.92 | NA | 0.22 | 0.47 | 0.45 | 0.13 | NA | 0.11 | NA | NA | NA | NA | NA | NA | 0.56 | 0.78 | NA | 1.22 | NA | NA | 7.41 | NA | 0.38 | NA | 0.70 |
| 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- | ME192932 | 2.15 | 0.71 | 4.23 | 0.51 | 4.98 | 2.22 | 0.03 | 0.10 | NA | 2.74 | 3.06 | 2.08 | 2.81 | 0.06 | 0.30 | 0.11 | NA | NA | NA | NA | 0.05 | 0.05 | 0.04 | 0.10 | 0.01 | 0.08 | 0.11 | 0.02 | 0.03 | 0.03 | 0.06 | 0.02 | 0.06 |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- | ME192942 | 0.49 | 0.71 | 0.45 | 0.24 | 0.78 | 0.55 | 1.21 | 3.30 | NA | 0.94 | NA | NA | 0.60 | 0.93 | 0.50 | NA | NA | NA | NA | NA | 0.51 | 0.72 | 0.51 | 0.51 | 0.99 | 0.64 | 1.98 | 3.31 | 1.41 | 1.44 | 1.43 | NA | NA |
| 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- | ME192976 | 0.76 | NA | 0.16 | 0.24 | NA | 0.47 | 0.88 | 2.19 | 2.88 | NA | 0.22 | 0.46 | 0.44 | 0.13 | NA | 0.11 | NA | NA | NA | NA | NA | NA | 0.56 | 0.77 | NA | 1.20 | NA | NA | 7.29 | NA | 0.37 | NA | NA |
| 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- | ME192984 | 1.36 | 2.24 | 1.29 | 0.67 | 1.43 | 1.19 | 0.40 | 0.38 | 0.41 | NA | 0.66 | NA | 0.70 | NA | 0.39 | 0.57 | NA | NA | NA | NA | 0.98 | 2.18 | 1.05 | 1.50 | 0.56 | 1.17 | 0.35 | 0.10 | 0.66 | 0.69 | 0.90 | NA | 0.90 |
| 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- | ME192988 | 1.42 | 1.53 | 0.68 | 1.32 | 0.07 | 1.31 | 0.88 | 0.87 | 0.93 | NA | 0.78 | NA | 1.02 | 0.75 | 0.91 | 0.75 | NA | NA | NA | NA | 1.08 | 1.16 | 0.78 | 1.18 | NA | 1.18 | 0.74 | 0.69 | 0.83 | NA | 0.92 | NA | 0.91 |
| 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- | ME192977 | 1.09 | 1.38 | 1.59 | 0.28 | 1.55 | 1.61 | 0.73 | 0.60 | 0.86 | 0.11 | 0.53 | 0.85 | 1.32 | 2.05 | NA | 0.34 | NA | NA | NA | NA | 0.04 | 0.10 | NA | 0.04 | NA | 3.05 | 3.23 | 1.17 | 1.34 | 0.45 | 0.44 | 1.93 | 0.42 |
| 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- | ME192981 | 0.75 | 1.23 | 0.23 | 0.10 | 1.17 | 0.99 | 3.08 | NA | 0.81 | NA | 1.11 | 0.88 | 0.95 | NA | 0.07 | NA | NA | NA | NA | NA | 0.61 | 0.70 | 0.66 | NA | NA | 0.62 | 1.09 | NA | 1.12 | 1.39 | 1.66 | 1.35 | 1.41 |
Factors:
| F1 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Cells, Cultured | species:denticola |
| F2 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola |
| F3 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium |
| F4 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:phagedenis |
| F5 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii |
| F6 | Fraction:Cells | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola |
| F7 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:maltophilum |
| F8 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:parvum |
| F9 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:pectinovorum |
| F10 | Fraction:Cells | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Cells, Cultured | species:vincentii |
| F11 | Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:denticola |
| F12 | Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Cells, Cultured | species:medium |
| F13 | Fraction:Cells | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Cells, Cultured | species:denticola |
| F14 | Fraction:Control media | Growth media:NOS + TPP | Growth phase:control media | Sample type:Culture | species:none |
| F15 | Fraction:Control media | Growth media:OMIZ | Growth phase:control media | Sample type:Culture | species:none |
| F16 | Fraction:Control media | Growth media:OMIZ + TPP | Growth phase:control media | Sample type:Culture | species:none |
| F17 | Fraction:Culture | Growth media:- | Growth phase:- | Sample type:- | species:- |
| F18 | Fraction:Pooled cells | Growth media:Pooled cells | Growth phase:Pooled cells | Sample type:Pooled sample | species:Pooled cells |
| F19 | Fraction:Pooled culture | Growth media:Pooled culture | Growth phase:Pooled culture | Sample type:Pooled sample | species:Pooled culture |
| F20 | Fraction:Pooled culture media | Growth media:Pooled culture media | Growth phase:Pooled culture media | Sample type:Pooled sample | species:Pooled culture media |
| F21 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Early log phase | Sample type:Culture Media | species:denticola |
| F22 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola |
| F23 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium |
| F24 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:phagedenis |
| F25 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii |
| F26 | Fraction:Supernatant | Growth media:NOS with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola |
| F27 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:maltophilum |
| F28 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:parvum |
| F29 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:pectinovorum |
| F30 | Fraction:Supernatant | Growth media:OMIZ | Growth phase:Late log phase | Sample type:Culture Media | species:vincentii |
| F31 | Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:denticola |
| F32 | Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Late log phase | Sample type:Culture Media | species:medium |
| F33 | Fraction:Supernatant | Growth media:OMIZ with TPP | Growth phase:Mid log phase | Sample type:Culture Media | species:denticola |
