Brightway Flows 1.0
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1,4-naphthoquinone

fo-a886359bce288e4b

Identity

Type
Neutral molecule
CAS
130-15-4
EC
204-977-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,4-naphthoquinone

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FRASJONUBLZVQX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
IUPAC name chemrof:IUPAC_name 1,4-naphthoquinone
Molecular formula chemrof:molecular_formula C10H6O2
Molecular mass chemrof:molecular_mass 158.156
Monoisotopic mass chemrof:monoisotopic_mass 158.036779, 158.03678
SMILES string chemrof:smiles_string O=C1C=CC(=O)c2ccccc21

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=130-15-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27418 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.526 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1547 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5040704 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9583 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL55934 enrich_references.pubchem_identifier_url
gmelin gmelin:240850 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RBF5ZU7R7K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244221 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.430E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02617 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02617 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51312 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8530 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=005216 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/26684482 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28166217 enrich_references.chebi_xrefs
reaxys reaxys:878524 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q161542 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Naphthoquinone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fe61969b-b1c4-4527-b7b1-9bd68254fbd4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e8cf555c-f548-42be-a4c2-77a79ac82a69 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9a6b09f4-34c7-430e-a788-659b76dd49b1 Environmental → Air → Indoor EF 3.1 kg 2
d22b765e-0e55-4ea3-b2b7-4f1d2b7f456d Environmental → Air → Long-term EF 3.1 kg 0
40efee50-abc7-4034-8a80-d25ed3643078 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e417447a-e60f-4fb4-a793-d64de2e5cb45 Environmental → Air → Unknown EF 3.1 kg 2
f170d605-0d7d-48e7-a128-e724d3b4b094 Environmental → Ground → Agricultural EF 3.1 kg 2
e1d606c7-5b91-4bd2-bfa9-23781d285a50 Environmental → Ground → Non-agricultural EF 3.1 kg 2
33dadd88-31a1-469d-85f2-c47506abf345 Environmental → Ground → Unknown EF 3.1 kg 2
3c1f3a87-53c1-4fca-b237-f8deda992e70 Environmental → Water → Long-term EF 3.1 kg 0
329489e0-b000-4905-9c43-35458572d1b9 Environmental → Water → Ocean EF 3.1 kg 2
9aac673f-5ab8-4998-922d-ed71b843c978 Environmental → Water → Surface water EF 3.1 kg 2
82d137ba-e889-41bc-bc57-5425d0851d60 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a886359bce288e4b",
  "prefLabel": [
    {
      "@value": "1,4-naphthoquinone",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-dihydro-1,4-diketonaphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-Dihydronaphthalene-1,4-dione",
      "@language": "en",
      "@lang": "en",
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    },
    {
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    },
    {
      "@value": "1,4-Naphthylquinone",
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