Vanillic Acid
fo-c1084352ab7f8165
Identity
- Type
- Neutral molecule
- CAS
- 121-34-6
- EC
- 204-466-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- 2-Methoxy-4-carboxyphenol
- 3-Methoxy-4-hydroxybenzoic acid
- 4-Carboxyl-2-methoxyphenol
- 4-Hydroxy-3-methoxybenzoic acid
- Benzoic acid, 4-hydroxy-3-methoxy-
- m-Methoxy-p-hydroxy-benzoic acid
- MeSH ID: D014641
- Methylprotocatechuic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | Vanillic Acid |
| Molecular formula chemrof:molecular_formula | C8H8O4 |
| Molecular mass chemrof:molecular_mass | 168.148 |
| Monoisotopic mass chemrof:monoisotopic_mass | 168.042259, 168.04226 |
| SMILES string chemrof:smiles_string | COc1cc(C(=O)O)ccc1O |
Known URLs
28Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:2208364 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=121-34-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30816 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.061 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6059522 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB02130 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02130 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3987 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=674322 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL120568 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/4-hydroxy-3-methoxybenzoic-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1472811 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GM8Q3JM2Y8 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000484 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.337F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06672 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06672 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002682 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37271 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:VNL | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8468 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018089 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20482617 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24078147 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24314059 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q419672 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Vanillic_acid | enrich_references.pubchem_identifier_url |
| ymdb | ymdb:YMDB01802 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f9264883-1dea-4f24-9afc-4164f6c2a9b6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c5460a45-422a-4414-bf5f-fc9df2cb65ef | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| eca0a4de-046e-47d9-a144-4c1a5fd12cea | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 739689f7-a5a1-44d0-91f6-3d5c9e8932b9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 591ec0ae-4a80-473a-87ef-748a849bf2b8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 62fceaa0-7c18-42e5-953e-afdb139f705a | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2237a794-3f78-4b29-9567-63cde67033a3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f93031fc-cd38-499e-b2ff-9c8a3ca81a50 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a94b1f34-3ab0-4574-bd86-2f4e533e400e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3e044350-a825-4a9d-8e47-5a8d7d31f06a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5070c95c-3778-4ffb-a8f4-1a5cd4b2eb83 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 95395660-49fa-4cbc-a34f-56b82d7a4188 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fa7ecacc-fc3d-4b28-8e64-783983ed21e1 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works