Universal:3mox4hoxm
vanillylmandelate
Default Component
3mox4hoxm:-1
- vanillylmandelate
- Charge: -1
- Formula: C9H9O5
CHEBI:27622
- vanillylmandelate
- Type: Small Molecule
- InChiKey: CGQCWMIAEPEHNQ-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 197.1648[0], 197.0[1]
- SMILES: COc1cc(C(O)C(=O)[O-])ccc1O[0], COc1cc([C@@H](O)C(=O)[O-])ccc1O[1]
- Names: 3-Methoxy-4-hydroxymandelate[0,1], 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate[0], vanilmandelate[0], Vanillylmandelic acid[1], 3-methoxy-4-hydroxymandelate[1], 4-hydroxy-3-methoxymandelate[1], VMA[1], benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-[1], vanillyl mandelate[1], vanillylmandelic acid[1]
Linkouts
- CHEBI: CHEBI:27622 [0]
- KEGG Compound: C05584 [0,1]
- SEED Compound: cpd03314 [1]
- MetaCyc Compound: VANILLYL_MANDELATE [1]
- MetaNetX Chemical: MNXM3383 [1]
Alternative Component
3mox4hoxm:0
- vanillylmandelic acid
- Charge: 0
- Formula: C9H10O5
CHEBI:20106
- vanillylmandelic acid
- Type: Small Molecule
- InChiKey: CGQCWMIAEPEHNQ-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 198.1727[0]
- SMILES: COc1cc(C(O)C(=O)O)ccc1O[0]
- Names: 3-methoxy-4-hydroxymandelic acid[0], hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid[0], 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid[0], Vanilmandelic acid[0], Vanillylmandelic acid[0]
Linkouts
- CHEBI: CHEBI:20106 [0]
- KEGG Compound: C05584 [0]
- MetaCyc Compound: VANILLYL_MANDELATE [0]
- Wikipedia: Vanillylmandelic_acid [0]
- HMDB: HMDB0000291 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |