Consensus flow list

Identity

Type
NeutralMolecule
CAS
90-47-1
EC
201-997-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Xanthone

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JNELGWHKGNBSMD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
IUPAC name chemrof:IUPAC_name Xanthone
Molecular formula chemrof:molecular_formula C13H8O2
Molecular mass chemrof:molecular_mass 196.205
Monoisotopic mass chemrof:monoisotopic_mass 196.052429, 196.05243
SMILES string chemrof:smiles_string O=c1c2ccccc2oc2ccccc12

Known URLs

19

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=90-47-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37647 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.816 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021795 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14978 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL186784 enrich_references.pubchem_identifier_url
gmelin gmelin:166003 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9749WEV0CA enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259922 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2932.99.39.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.319B enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C22599 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55650 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/5DSQ8HDF23G4 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7020 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018202 enrich_references.pubchem_identifier_url
reaxys reaxys:140443 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421789 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Xanthone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f68038e4-fd7f-42bf-89e5-d59d97bd540f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a3bcb5c0-f3a9-4f93-be95-f07c5a4f230f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
efc6e831-60ee-43f8-8abc-cdfbb37ddf4d Environmental → Air → Indoor EF 3.1 kg 2
ac94abfd-9165-4d1d-bc66-bd97129a2de5 Environmental → Air → Long-term EF 3.1 kg 0
9bce0b74-1189-4174-b8fc-2933f06b456c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bf4166b5-61fe-4bcc-8467-424f7739cb76 Environmental → Air → Unknown EF 3.1 kg 2
9387aa39-261a-41f1-9b01-04f4dfb4397b Environmental → Ground → Agricultural EF 3.1 kg 2
4be89cc3-e0cf-4972-85d4-3cdb9fda9c78 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ee95a8dc-4b53-42ee-a435-02e7a6f84aad Environmental → Ground → Unknown EF 3.1 kg 2
9938dd9b-0523-43f0-a886-5b886dee066c Environmental → Water → Long-term EF 3.1 kg 0
6d5cd2b9-1a70-4687-9fb4-bf9e2fb616ff Environmental → Water → Ocean EF 3.1 kg 2
812457e8-fe78-4283-96c2-86a7f4f83266 Environmental → Water → Surface water EF 3.1 kg 2
fb370130-091d-472f-bbcd-3d0e7da301bc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9e875c64f3ce0021",
  "prefLabel": [
    {
      "@value": "Xanthone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:90-47-1",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "9-oxoxanthene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9-xanthenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9-xanthone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9H-xanthen-9-one",
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      }
    },
    {
      "@value": "9H-Xanthene, 9-oxo-",
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    },
    {
      "@value": "benzophenone oxide",
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    },
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    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibenzo[b,e]pyran-10-one",
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      "provenance": {
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    {
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    },
    {
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    },
    {
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