Consensus flow list

Identity

Type
NeutralMolecule
CAS
99-50-3
EC
202-760-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3,4-dihydroxybenzoic Acid

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YQUVCSBJEUQKSH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
IUPAC name chemrof:IUPAC_name 3,4-dihydroxybenzoic Acid
Molecular formula chemrof:molecular_formula C7H6O4
Molecular mass chemrof:molecular_mass 154.121
Monoisotopic mass chemrof:monoisotopic_mass 154.026609, 154.02661
SMILES string chemrof:smiles_string O=C(O)c1ccc(O)c(O)c1

Known URLs

33

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=99-50-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36062 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.509 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021212 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03946 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16631 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL37537 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/34-dihydroxybenzoic-acid enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/36R5QJ8L4B enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001856 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.618A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00230 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00230 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002668 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37892 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=3-4-DIHYDROXYBENZOATE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:DHB enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/WGB329FV2GX1 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL37537 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/72 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002961 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=082396 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=600582 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17709440 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19160570 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20840540 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20973550 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21569764 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21619045 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
reaxys reaxys:1448841 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q418599 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Protocatechuic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
cab849d1-3c7d-4528-a532-d9e05867c060 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
0e4cb33a-3a81-47a8-a224-a9da4b7964d4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
683211b0-3e52-459e-b4aa-b09ed9bc8598 Environmental → Air → Indoor EF 3.1 kg 0
291c0b4d-d506-45dd-8972-d0f1c35c8dd6 Environmental → Air → Long-term EF 3.1 kg 0
501ffabc-3ec2-41ea-b047-b70d18e5246e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
018547f1-fa37-4f89-b9fe-1fbadac547d2 Environmental → Air → Unknown EF 3.1 kg 0
b3d4beae-602a-49e0-908f-94ffc677593d Environmental → Ground → Agricultural EF 3.1 kg 0
18878997-38bc-474a-9033-752ebbefe65c Environmental → Ground → Non-agricultural EF 3.1 kg 0
96791cf3-2dc9-4f3c-b9af-a574e3ce0372 Environmental → Ground → Unknown EF 3.1 kg 0
7b20cdf1-8924-47c0-8bc0-e604b74028f6 Environmental → Water → Long-term EF 3.1 kg 0
007a2e82-f706-45db-b920-7b526c830872 Environmental → Water → Ocean EF 3.1 kg 0
4a42b05c-c500-4187-920b-aa39c24d9070 Environmental → Water → Surface water EF 3.1 kg 0
1b02194d-f22d-47cf-a115-f38e2511d2a1 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-de3b73b560c810de",
  "prefLabel": [
    {
      "@value": "3,4-dihydroxybenzoic Acid",
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  ],
  "altLabel": [
    {
      "@value": "1,2-Dihydroxybenzene-4-carboxylic acid",
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    {
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    },
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