Brightway Flows 1.0
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1,2-naphthoquinone

fo-c907e3c1f0df94bc

Identity

Type
Neutral molecule
CAS
524-42-5
EC
208-360-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2-naphthoquinone

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KETQAJRQOHHATG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
IUPAC name chemrof:IUPAC_name 1,2-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=Cc2ccccc2C1=O

Known URLs

35

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=524-42-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34055 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.602 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2060171 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9831 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL52347 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/804K62F61Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244101 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J355.681F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.639G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14783 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14783 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-4895 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/SJ1BVCNUXY6Y enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10667 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=017889 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11697855 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17941623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21963991 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22218491 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24554396 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27853106 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29108775 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30222979 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30794404 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31932556 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32474273 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32526934 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6321045 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7204331 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8268208 enrich_references.chebi_xrefs
reaxys reaxys:606546 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q171721 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Naphthoquinone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e0e0c1c2-7ded-42d9-961b-0f61ab911fab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b0db1605-0a51-40c1-af36-715a38feefdc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
914dae9c-bcd3-4920-a7be-438c4e04a5c0 Environmental → Air → Indoor EF 3.1 kg 2
00201536-639c-404d-ad1f-9bcf3c45c77c Environmental → Air → Long-term EF 3.1 kg 0
8cc83a3d-0350-472c-8e60-d16c0a78f1fc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
458ef249-1843-4971-abbd-7018e3091aa6 Environmental → Air → Unknown EF 3.1 kg 2
7a28db17-560b-4f19-9495-f27a8dbe9f59 Environmental → Ground → Agricultural EF 3.1 kg 2
46a04b95-56a2-49f7-8c31-b77180e43e11 Environmental → Ground → Non-agricultural EF 3.1 kg 2
274d0cd1-8989-4892-a193-9252c0482515 Environmental → Ground → Unknown EF 3.1 kg 2
256f29ff-97c0-4295-89b3-ee3eebfd95e2 Environmental → Water → Long-term EF 3.1 kg 0
5603727f-8e9e-42e2-b7db-9fa85e372e6a Environmental → Water → Ocean EF 3.1 kg 2
7b4be3bf-488d-4578-9058-0225969feb62 Environmental → Water → Surface water EF 3.1 kg 2
3311a8d0-f7cf-4f72-8ea6-13abb8a58eba 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-c907e3c1f0df94bc",
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  "altLabel": [
    {
      "@value": "1,2-dihydro-1,2-diketo-naphthalene",
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    },
    {
      "@value": "1,2-dihydronaphthalene-1,2-dione",
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