Gallic acid
fo-77c42fbb542bebce
Identity
- Type
- Neutral molecule
- CAS
- 149-91-7
- EC
- 205-749-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- 3,4,5-Hydroxybenzoic acid
- 3,4,5-Trihydroxybenzoic acid
- 3,4,5-trihydroxybenzoicacid
- A 1925-04
- Benzoic acid, 3,4,5-trihydroxy-
- BL 20220429008
- MeSH ID: D005707
- Pyrogallol-5-carboxylic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LNTHITQWFMADLM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| IUPAC name chemrof:IUPAC_name | Gallic acid |
| Molecular formula chemrof:molecular_formula | C7H6O5 |
| Molecular mass chemrof:molecular_mass | 170.12 |
| Monoisotopic mass chemrof:monoisotopic_mass | 170.02152, 170.021523 |
| SMILES string chemrof:smiles_string | O=C(O)c1cc(O)c(O)c(O)c1 |
Known URLs
40Where 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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=149-91-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=31387-49-2 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30778 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.228 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1174 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020650 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20103 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36997 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=674319 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755825 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL288114 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:27336 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/632XD903SP | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0005807 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2918.29.30.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.065.593A | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.408J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01424 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01424 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002647 | enrich_references.chebi_xrefs |
| lincs.smallmolecule | lincs.smallmolecule:LSM-37191 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38768 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-183 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C63648 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/V6Z78BFPP5YB | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/370 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001349 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=059239 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11032918 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14598907 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17426744 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18314336 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19812218 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20441561 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21805983 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24010549 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24342507 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2050274 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q375837 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Gallic_acid | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 52e818e4-105a-4b1c-9956-a87b4e69fc5f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| cafa67a9-3bbe-4a09-a01b-bdea4a6625f8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| dea499f3-1b92-4e19-a798-f13f1931fa40 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 3998a8de-796f-43a7-914a-43de8c029a9e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b5161cad-da4a-4388-8ba9-7c107b3e20e2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| ba88ed95-4307-40ff-9af9-9bfb4d9e7986 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| f829117e-5153-4063-b138-d45b906cc7fc | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 7c10e7fd-b1e2-452d-a40d-f38f478d4d02 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 970e4980-7e19-4216-90ad-515d1d84251c | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| d55d7039-33cf-4a69-9c1e-5d812f3567da | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f88197c0-1517-4fc3-afa5-e9e05462ee24 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| d3e260d9-f452-4082-b695-b556d1785d4f | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 4669b70c-e625-4a00-80b6-5020bfafc3b7 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
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