Consensus flow list

Identity

Type
Neutral molecule
CAS
244-63-3
EC
205-959-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for β-Carboline

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AIFRHYZBTHREPW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
IUPAC name chemrof:IUPAC_name β-Carboline
Molecular formula chemrof:molecular_formula C11H8N2
Molecular mass chemrof:molecular_mass 168.199
Monoisotopic mass chemrof:monoisotopic_mass 168.068748, 168.06875
SMILES string chemrof:smiles_string c1ccc2c(c1)[nH]c1cnccc12

Known URLs

25

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=244-63-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:109895 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.418 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021070 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84417 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL275224 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/94HMA1I78O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0012897 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.605.351A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.931B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C20157 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C20157 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-19021 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=187131 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42129 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-15304 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:NRH enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/SSCBVNNDG2KC enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/64961 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=109050 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23600147 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8070089 enrich_references.chebi_xrefs
reaxys reaxys:128414 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q414226 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Beta-Carboline enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d7bf7239-9ed0-4364-b693-9e98430da632 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
293cd5e8-48b2-49c9-b722-ce788658cc8c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
0a774aa9-68dc-4966-8b50-ecce8a5af814 Environmental → Air → Indoor EF 3.1 kg 0
edf5ca2e-74a0-4c6c-a2d9-36f1230ac42e Environmental → Air → Long-term EF 3.1 kg 0
e26d7da6-c040-47f9-9a30-eaabf32802f8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
cc612e60-e3cb-4ee4-8844-a64e8034e4f3 Environmental → Air → Unknown EF 3.1 kg 0
8ed44877-fdb8-4d94-a519-6e2c114c570f Environmental → Ground → Agricultural EF 3.1 kg 0
dc4752eb-a95d-4b1b-93f5-37be9e5d4da8 Environmental → Ground → Non-agricultural EF 3.1 kg 0
99c4252b-c150-4e8e-8c8f-6706d89eb801 Environmental → Ground → Unknown EF 3.1 kg 0
617d88bc-e024-4e0b-b436-ccb0382815a0 Environmental → Water → Long-term EF 3.1 kg 0
124e96ae-feed-4502-8d81-1b9a7101577c Environmental → Water → Ocean EF 3.1 kg 0
93a2ae57-1823-4d52-9d6b-ef0387466b14 Environmental → Water → Surface water EF 3.1 kg 0
dd176a38-ec15-430d-b564-8ad5a905ea13 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5227dfea0ce231f7",
  "prefLabel": [
    {
      "@value": "β-Carboline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,9-Diazafluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_109895"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Azacarbazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_109895"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9H-beta-Carboline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_109895"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9H-Pyrido(3,4-B)indole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9h-pyrido[3,4-b]indole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "beta-carboline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Carbazoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Norharman",
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      "provenance": {
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      }
    },
    {
      "@value": "Norharmane",
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        "prov:wasDerivedFrom": "chebi synonym match"
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  ],
  "properties": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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