Table 1.
VIP (variables importance in projection) markers following supervised OPLS-DA during in vitro gastrointestinal digestion of different EVOO samples. * = confirmed by naïve Bayesian analysis.
| Class | VIP Marker (OPLS-DA) | VIP Score |
|---|---|---|
| Alkaloids | Dihydrocinchonine | 1.09 ± 0.42 |
| Amino acids | L-Tryptophan | 1.10 ± 0.21 |
| Benzofurans | Halleridone | 1.37 ± 1.71 |
| Fatty acyls | (Z)-3-Hexen-1-ol | 1.16 ± 0.20 |
| Flavonoids | Pelargonidin 3-O-glucoside | 1.25 ± 0.22 |
| Peonidin * | 1.16 ± 0.20 | |
| Apigenin | 1.08 ± 0.34 | |
| Luteolin * | 1.08 ± 0.31 | |
| Pelargonidin * | 1.08 ± 0.30 | |
| Chrysoeriol 7-O-glucoside | 1.07 ± 0.43 | |
| Cyanidin | 1.07 ± 0.35 | |
| Hispidulin * | 1.07 ± 0.30 | |
| Luteolin 7-O-malonyl-glucoside | 1.06 ± 0.43 | |
| Delphinidin 3-O-arabinoside | 1.06 ± 0.41 | |
| Peonidin 3-O-rutinoside | 1.04 ± 0.31 | |
| Cyanidin 3-O-sambubioside 5-O-glucoside | 1.04 ± 0.48 | |
| Rhoifolin | 1.03 ± 0.46 | |
| Peonidin 3-O-(6’’-acetyl-glucoside) | 1.01 ± 0.18 | |
| Apigenin 6-C-glucoside | 1.01 ± 0.23 | |
| Lignans | 8-acetoxy-4’-methoxypinoresinol | 1.64 ± 1.45 |
| (-)-Olivil | 1.15 ± 0.50 | |
| Secoisolariciresinol | 1.08 ± 0.19 | |
| Organooxygen compounds | Salidroside | 1.21 ± 0.09 |
| Hexanal | 1.16 ± 0.20 | |
| Other phenolics | Oleuropein * | 1.26 ± 0.91 |
| 3,4-dihydroxyphenylethanol-4-diglucoside | 1.16 ± 0.15 | |
| Oleuropein-aglycone | 1.06 ± 0.73 | |
| Hydroxytyrosol * | 1.05 ± 0.84 | |
| Ligustroside | 1.01 ± 0.23 | |
| Phenolic acids | 4-hydroxybenzoic acid * | 2.12 ± 0.77 |
| Coumaric acid | 1.11 ± 0.21 | |
| Cinnamic acid | 1.04 ± 0.24 | |
| Prenol lipids | (S)-Oleuropeic acid | 1.26 ± 1.05 |
| Oleuroside | 1.26 ± 0.92 | |
| 3β-Myrianthic acid | 1.04 ± 0.24 | |
| Pyridines and derivatives | Pyridoxine | 1.01 ± 0.22 |
| Bufanolides | Hellebrigenin | 1.08 ± 0.89 |
| Scillarenin | 1.03 ± 0.25 | |
| Cardanolides | Cannogenin | 1.11 ± 0.38 |
| Cholesterol analogues | 7-oxo-cholestenone | 1.14 ± 0.19 |
| 19-norcholestenone | 1.11 ± 0.17 | |
| Cholest-7-en-3β,5α,6β,9α-tetrol | 1.10 ± 0.23 | |
| 24-northornasterol A | 1.10 ± 0.38 | |
| 2α,7β,15β,18-tetraacetoxy-cholest-5-en-3α-ol * | 1.09 ± 0.21 | |
| 2-deoxy-20-hydroxy-5α-ecdysone 3-acetate | 1.07 ± 0.47 | |
| 2-deoxyecdysone 22-phosphate | 1.07 ± 0.29 | |
| 20-hydroxyecdysone | 1.06 ± 0.24 | |
| 2-dehydroecdysone | 1.04 ± 0.47 | |
| Ergosterol derivatives | Stoloniferone F | 1.09 ± 0.28 |
| Typhasterol | 1.04 ± 0.30 | |
| Makisterone B | 1.02 ± 0.29 | |
| Nebrosteroid L * | 1.00 ± 0.34 | |
| Spirostanol derivatives | Episceptrumgenin | 1.16 ± 0.19 |
| 3-O-(Glcb1-3Glcb1-4(Rhaa1-2)Glcb)-(25R)-spirost-5-en-3β-ol | 1.10 ± 0.25 | |
| (23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3β-yl-O-α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranoside | 1.08 ± 0.36 | |
| Agavegenin A | 1.08 ± 0.30 | |
| 6-O-(Glcb)-(25R)-5α-spirostan-3β,6α,23S-triol * | 1.04 ± 0.27 | |
| 3-O-(Galb)-(25R)-12-oxo-5α-spirostan-3β-ol | 1.02 ± 0.31 | |
| Stigmasterol derivatives | Norselic acid A | 1.07 ± 0.39 |
| Norselic acid E | 1.06 ± 0.49 | |
| Withanolide derivatives | Proscillaridin A | 2.67 ± 0.72 |
| Minabeolide-8 | 1.18 ± 0.03 | |
| 15β-Hydroxynicandrin B | 1.01 ± 0.45 | |
| Minabeolide-5 | 1.00 ± 0.49 |