Consensus flow list

Identity

Type
Neutral molecule
CAS
121-79-9
EC
204-498-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Propyl 3,4,5-trihydroxybenzoate

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZTHYODDOHIVTJV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name Propyl 3,4,5-trihydroxybenzoate
Molecular formula chemrof:molecular_formula C10H12O5
Molecular mass chemrof:molecular_mass 212.201
Monoisotopic mass chemrof:monoisotopic_mass 212.06847, 212.068473
SMILES string chemrof:smiles_string CCCOC(=O)c1cc(O)c(O)c(O)c1

Known URLs

22

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=121-79-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10607 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021201 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB12450 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2626 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL7983 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/propyl-gallate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8D4SNN7V92 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033835 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.925D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11155 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02382 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11155 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02382 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46229 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76728 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL7983 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4947 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=039566 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1311134 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q608726 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propyl_gallate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eecf52d2-28ab-4835-a453-51463243f74c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fdd56fa0-5ca5-4f79-baad-308e80d67da3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4687d355-657b-44a5-bfa5-957980aec650 Environmental → Air → Indoor EF 3.1 kg 2
ed292f89-b31c-46ef-a67a-ff25b2cc8c6f Environmental → Air → Long-term EF 3.1 kg 0
ba6031cf-defa-44f6-af49-737b8aa82825 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
089a7390-8e1f-41f2-9dff-875384b2bd63 Environmental → Air → Unknown EF 3.1 kg 2
4e0f6abb-05a4-4eb1-8c79-f258730df949 Environmental → Ground → Agricultural EF 3.1 kg 2
479e6e66-9222-4fc9-9fe9-232728aed003 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5395a7ac-b53a-4cc4-8010-806780fcca5a Environmental → Ground → Unknown EF 3.1 kg 2
9fff9458-2765-451a-9481-aa2d6e00ee93 Environmental → Water → Long-term EF 3.1 kg 0
a043e97b-fd4a-482f-a494-3b2d408030be Environmental → Water → Ocean EF 3.1 kg 2
6fc7b54a-e68e-4c49-a689-125779a572b8 Environmental → Water → Surface water EF 3.1 kg 2
f9da10ab-e379-4e79-935d-bda9f347ce7e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ca0a6c11e3f62320",
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    {
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "3,4,5-Trihydroxybenzoic acid propyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzoic acid, 3,4,5-trihydroxy-, propyl ester",
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    },
    {
      "@value": "Gallic acid n-propyl ester",
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      }
    },
    {
      "@value": "Gallic acid, propyl ester",
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    {
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    {
      "@value": "MeSH ID: D011435",
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      "@value": "n-Propyl 3,4,5-trihydroxybenzoate",
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    },
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    },
    {
      "@value": "Nipagallin P",
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    },
    {
      "@value": "Nipanox S 1",
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    },
    {
      "@value": "Progallin P",
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