Brightway Flows 1.0
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3-hydroxybenzoic Acid

fo-c9b51d24fc8dbdcb

Identity

Type
Neutral molecule
CAS
99-06-9
EC
202-726-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 3-hydroxybenzoic Acid

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IJFXRHURBJZNAO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
IUPAC name chemrof:IUPAC_name 3-hydroxybenzoic Acid
Molecular formula chemrof:molecular_formula C7H6O3
Molecular mass chemrof:molecular_mass 138.122
Monoisotopic mass chemrof:monoisotopic_mass 138.03169, 138.031694
SMILES string chemrof:smiles_string O=C(O)c1cccc(O)c1

Known URLs

29

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=25302-76-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99-06-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30764 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.478 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021610 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=55746 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL65369 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/3-hydroxybenzoic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:3338 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2ZFW40OJ7U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002466 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2918.29.08.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.202D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00587 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00587 enrich_references.pubchem_identifier_url
knapsack knapsack:C00040822 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38164 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:3HB enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/N6Y6R7CHXJ3X enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7420 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018037 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21539432 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23113660 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23392766 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23718125 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28166217 enrich_references.chebi_xrefs
reaxys reaxys:508160 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2823216 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Hydroxybenzoic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
19f6aec4-aaa3-4687-8595-2e9c7d352c11 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ae6123ce-af21-4680-87bf-819fac2c0915 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3862417c-ebf9-4366-be8e-7f3c3d3d7ab0 Environmental → Air → Indoor EF 3.1 kg 2
c3912330-729c-4fcd-8c95-8a8592c79b45 Environmental → Air → Long-term EF 3.1 kg 0
effa1360-1ee3-49b6-8c83-36b5dbfc7b5e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4c5fc7d9-af42-4ef2-a54d-65a4be0a9c6b Environmental → Air → Unknown EF 3.1 kg 2
2c1280ed-69ca-4ef8-8b3d-ebbdf1946e87 Environmental → Ground → Agricultural EF 3.1 kg 2
1f8ef788-80be-4a4b-9140-bbfe60dbe2df Environmental → Ground → Non-agricultural EF 3.1 kg 2
475b1ca2-ec20-4c6d-b054-926b09611777 Environmental → Ground → Unknown EF 3.1 kg 2
9aa28e44-9f4f-4532-ad6c-ccaa0cad7755 Environmental → Water → Long-term EF 3.1 kg 0
1b131aac-de35-466f-a792-0232f66cd56a Environmental → Water → Ocean EF 3.1 kg 2
7fb083e3-fd00-4565-94c2-f768a446c025 Environmental → Water → Surface water EF 3.1 kg 2
e04bdd6d-fa85-4e26-bd02-20acd9028c89 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 
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