Consensus flow list

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

Structure diagram for Gallic acid

Alternative labels

8

Properties

PropertyValue
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

40

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-77c42fbb542bebce",
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      "@value": "Gallic acid",
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