Consensus flow list

Identity

Type
Neutral molecule
CAS
85-02-9
EC
201-582-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Benzo[f]quinoline

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HCAUQPZEWLULFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
IUPAC name chemrof:IUPAC_name Benzo[f]quinoline
Molecular formula chemrof:molecular_formula C13H9N
Molecular mass chemrof:molecular_mass 179.222
Monoisotopic mass chemrof:monoisotopic_mass 179.073499
SMILES string chemrof:smiles_string c1ccc2c(c1)ccc1ncccc12

Known URLs

11

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=85-02-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.438 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2024585 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9850 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1565107 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/525476DTML enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249008 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.907G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123642 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6796 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260966 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d7c37b67-7b75-44d9-b623-9e02b68d4180 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1638c91b-e0b4-4013-bcd6-c5669348fe44 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0e7dbe48-de16-4d33-807d-106d574b3fd6 Environmental → Air → Indoor EF 3.1 kg 2
27debe21-9a45-439f-a962-a8456c3f1bd2 Environmental → Air → Long-term EF 3.1 kg 0
7a92d05b-9afc-4362-9e89-e70edb369e4c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fff81bce-7a29-4964-ac36-0de968e8fda8 Environmental → Air → Unknown EF 3.1 kg 2
d2fa3b0c-a4ad-46ea-98ac-4d1660c24fd1 Environmental → Ground → Agricultural EF 3.1 kg 2
a61afb95-7baa-4954-a0bb-27ca1f49d503 Environmental → Ground → Non-agricultural EF 3.1 kg 2
daec0117-eb68-4260-aef3-4033452131e5 Environmental → Ground → Unknown EF 3.1 kg 2
f096b491-602a-41d9-aaee-312e1662ef47 Environmental → Water → Long-term EF 3.1 kg 0
1e70cd56-61d1-413b-b80f-0df185309078 Environmental → Water → Ocean EF 3.1 kg 2
593297d0-aebb-43eb-8e13-8485d560bc88 Environmental → Water → Surface water EF 3.1 kg 2
b240951e-78cc-444b-b507-6a536d84c5e8 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-a6920bccd76f353b",
  "prefLabel": [
    {
      "@value": "Benzo[f]quinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Azaphenanthrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:85-02-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=85-02-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,6-Benzo[f]quinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=85-02-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,6-Benzoquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=85-02-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Naphthoquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
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    },
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      "provenance": [
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        {
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      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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      },
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  },
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    },
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  "@type": [
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}

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