Consensus flow list

Identity

Type
Neutral molecule
CAS
501-30-4
EC
207-922-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Kojic acid

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BEJNERDRQOWKJM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
IUPAC name chemrof:IUPAC_name 5-Hydroxy-2-(hydroxymethyl)-4-pyrone
Molecular formula chemrof:molecular_formula C6H6O4
Molecular mass chemrof:molecular_mass 142.11
Monoisotopic mass chemrof:monoisotopic_mass 142.026609, 142.02661
SMILES string chemrof:smiles_string O=c1cc(CO)occ1O

Known URLs

41

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
beilstein beilstein:120895 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=501-30-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:43572 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.203 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2040236 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01759 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01759 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3977 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3977 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1942 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL287556 enrich_references.pubchem_identifier_url
gmelin gmelin:3620 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6K23F1TT52 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032923 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.564D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14516 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14516 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45786 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=KOJIC-ACID enrich_references.chebi_xrefs
patent patent:AU2012268879 enrich_references.chebi_xrefs
patent patent:JP2013017408 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:KOJ enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL287556 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3840 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=009875 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11534762 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1348188 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15039076 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16198580 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18083129 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19471877 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20943172 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23683589 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24116376 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28166217 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7714722 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8987542 enrich_references.chebi_xrefs
reaxys reaxys:120895 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1426451 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q416285 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Kojic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
8cd49987-6271-4e9f-bfca-e8c3daff23a5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3dfc2a59-2d6f-4210-82e0-ab898cba0696 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
875a7144-6a1c-4d8c-9481-7b0af09becaf Environmental → Air → Indoor EF 3.1 kg 2
40d197d4-3b3b-43bc-97b9-46156b1d0a6d Environmental → Air → Long-term EF 3.1 kg 0
0e32f614-e231-4f53-93ec-a2d3f784b72e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9c7b0bb5-7077-4b9a-86f8-53a15fe0bd52 Environmental → Air → Unknown EF 3.1 kg 2
334533c2-a51b-475e-a7f0-563d4d5f8033 Environmental → Ground → Agricultural EF 3.1 kg 2
32d59abf-5877-4e16-8d9b-7f512b284a24 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1836c578-701d-45f3-9120-6afaf8af9323 Environmental → Ground → Unknown EF 3.1 kg 2
e77a609b-ec91-4a58-b062-9885a4d0577a Environmental → Water → Long-term EF 3.1 kg 0
249eff70-391e-4b46-9e6e-2d2e41fb0bbc Environmental → Water → Ocean EF 3.1 kg 2
fc556429-2cdc-4524-b2bb-f012262d5c9a Environmental → Water → Surface water EF 3.1 kg 2
33351f79-5609-40cc-a60c-0a74534637a0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-724db901332c61e2",
  "prefLabel": [
    {
      "@value": "Kojic acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-",
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    },
    {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "acido kojico",
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    },
    {
      "@value": "Kojisaeure",
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